SCHEMBL17201256

SCHEMBL17201256

COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(C#N)c(C)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 5/20 0.40
HPGD P15428 4/20 0.40
GAA P10253 3/20 0.35
CYP1A2 P05177 2/20 0.34
HSD17B10 Q99714 2/20 0.34
LMNA P02545 1/20 0.33
UCHL1 P09936 1/20 0.32
MAPK1 P28482 1/20 0.32
AR P10275 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA7 P43166 2/20 0.31
CA9 Q16790 2/20 0.31
CA14 Q9ULX7 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17201112 0.85 UCHL1 (0.34) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL17201248 0.80 UCHL1 (0.35) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL17201213 0.80 UCHL1 (0.33) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL18107886 0.78 CA12 (0.37) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL22367848 0.76 MEN1 (0.35) ALDH1A1KDM4EGAALMNAUCHL1
SCHEMBL17201292 0.75 CA12 (0.41) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL29570855 0.75 UCHL1 (0.34) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL26133927 0.74 GAA (0.36) ALDH1A1KDM4EHPGDGAACYP1A2
SCHEMBL31459270 0.74 CYP11B1 (0.35) ALDH1A1KDM4EHPGDGAACYP1A2
SCHEMBL1918526 0.74 UCHL1 (0.36) ALDH1A1KDM4EHPGDGAAHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260092052-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2026-04-02 US disclosed
US-20240109874-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2024-04-04 US disclosed
US-20220411413-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2022-12-29 US disclosed
US-20210009572-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2021-01-14 US disclosed
US-10865200-B2 Nitrogen-containing heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-12-15 US disclosed
EP-3134386-B1 ISOINDOLINE-1-ONE DERIVATIVES AS CHOLINERGIC MUSCARINIC M1 RECEPTOR POSITIVE ALLOESTERIC MODULATOR ACTIVITY FOR THE TREATMENT OF ALZHEIMERS DISEASE TAKEDA PHARMACEUTICALS CO (JP) 2020-05-20 EP disclosed
US-10457670-B2 Isoindoline-1-one derivatives as cholinergic muscarinic M1 receptor positive alloesteric modulator activity for the treatment of Alzheimers disease TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-10-29 US disclosed
US-20190241547-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-08-08 US disclosed
US-20180346452-A1 ISOINDOLINE-1-ONE DERIVATIVES AS CHOLINERGIC MUSCARINIC M1 RECEPTOR POSITIVE ALLOESTERIC MODULATOR ACTIVITY FOR THE TREATMENT OF ALZHEIMERS DISEASE TAKEDA PHARMACEUTICALS CO (JP) 2018-12-06 US disclosed
US-9868725-B2 Isoindoline-1-one derivatives as cholinergic muscarinic M1 receptor positive alloesteric modulator activity for the treatment of Alzheimer's disease TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-01-16 US disclosed
US-20170100384-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-04-13 US disclosed
US-20170100373-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-04-13 US disclosed
US-20170044143-A1 ISOINDOLINE-1-ONE DERIVATIVES AS CHOLINERGIC MUSCARINIC M1 RECEPTOR POSITIVE ALLOESTERIC MODULATOR ACTIVITY FOR THE TREATMENT OF ALZHEIMERS DISEASE TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2017-02-16 US disclosed
US-20170027921-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-02-02 US disclosed
US-9518042-B2 Nitrogen-containing heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-13 US disclosed
US-9499516-B2 Nitrogen-containing heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-11-22 US disclosed
US-20160152598-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2016-06-02 US disclosed
US-20160152603-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2016-06-02 US disclosed
US-9315458-B2 Nitrogen-containing heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2016-04-19 US disclosed
US-20150307451-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160152598-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 ALDH1A1 2868/4885KDM4E 1279/4885HPGD 1924/4885
US-10865200-B2 Nitrogen-containing heterocyclic compound CHRM1, CHRM5, CHRM2 ALDH1A1 2868/4885KDM4E 1279/4885HPGD 1924/4885
US-20160152603-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 ALDH1A1 2868/4885KDM4E 1279/4885HPGD 1924/4885
US-20170100384-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 ALDH1A1 2868/4885KDM4E 1279/4885HPGD 1924/4885
US-20240109874-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 ALDH1A1 2868/4885KDM4E 1279/4885HPGD 1924/4885
US-20260092052-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM2, CHRM4 ALDH1A1 2698/4885KDM4E 1132/4885HPGD 2888/4885
US-20220411413-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 ALDH1A1 2868/4885KDM4E 1279/4885HPGD 1924/4885
US-20180346452-A1 ISOINDOLINE-1-ONE DERIVATIVES AS CHOLINERGIC MUSCARINIC M1 RECEPTOR POSITIVE ALLOESTERIC MODULATOR ACTIVITY FOR THE TREATMENT OF ALZHEIMERS DISEASE CHRM1, CHRM2, CHRM5 ALDH1A1 785/4885KDM4E 1622/4885HPGD 3149/4885
US-20170027921-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 ALDH1A1 2868/4885KDM4E 1279/4885HPGD 1924/4885
US-20210009572-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRNA5 ALDH1A1 3950/4885KDM4E 1118/4885HPGD 1704/4885
US-20190241547-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 ALDH1A1 2868/4885KDM4E 1279/4885HPGD 1924/4885
US-20170044143-A1 ISOINDOLINE-1-ONE DERIVATIVES AS CHOLINERGIC MUSCARINIC M1 RECEPTOR POSITIVE ALLOESTERIC MODULATOR ACTIVITY FOR THE TREATMENT OF ALZHEIMERS DISEASE CHRM1, CHRM2, CHRM5 ALDH1A1 778/4885KDM4E 1682/4885HPGD 2942/4885
US-10457670-B2 Isoindoline-1-one derivatives as cholinergic muscarinic M1 receptor positive alloesteric modulator activity for the treatment of Alzheimers disease CHRM1, CHRM2, CHRM5 ALDH1A1 785/4885KDM4E 1622/4885HPGD 3149/4885
US-20150307451-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 ALDH1A1 2868/4885KDM4E 1279/4885HPGD 1924/4885
US-20170100373-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 ALDH1A1 2868/4885KDM4E 1279/4885HPGD 1924/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.