SCHEMBL17201308

SCHEMBL17201308

Cc1c(C#N)ccc(C(=O)O)c1O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.47
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SELL P14151 1/20 0.44
SELP P16109 1/20 0.44
XDH P47989 1/20 0.41
SLC22A12 Q96S37 1/20 0.41
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LDHA P00338 1/20 0.38
NOTUM Q6P988 1/20 0.38

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
SCHEMBL2990213 0.85 XDH (0.44) GRM1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3111073 0.85 AR (0.42) KDM4EHSD17B10XDHSLC22A12NOTUM
SCHEMBL6876576 0.81 GRM1 (0.47) GRM1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3455993 0.80 NOTUM (0.49) XDHSLC22A12NOTUM
SCHEMBL17363184 0.80 GABRP (0.41) KDM4EHSD17B10XDHSLC22A12TDP1
SCHEMBL3457412 0.80 NOTUM (0.46) KDM4EXDHSLC22A12NOTUM
SCHEMBL27666816 0.78 XDH (0.38) KDM4EHSD17B10XDHSLC22A12NOTUM
SCHEMBL2997706 0.77 XDH (0.41) GRM1KDM4EHSD17B10SELLSELP
SCHEMBL23699537 0.76 XDH (0.37) KDM4EHSD17B10XDHSLC22A12NOTUM
SCHEMBL6564670 0.76 TSHR (0.45) ALDH1A1XDHSLC22A12MAPTTDP1

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 33 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
WO-2022155419-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. (US) 2022-07-21 WO 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
EP-3134386-A1 ISOINDOLINE-1-ONE DERIVATIVES AS CHOLINERGIC MUSCARINIC M1 RECEPTOR POSITIVE ALLOESTERIC MODULATOR ACTIVITY FOR THE TREATMENT OF ALZHEIMERS DISEASE Takeda Pharmaceutical Company Limited (JP) 2017-03-01 EP 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
WO-2015163485-A1 ISOINDOLINE-1-ONE DERIVATIVES AS CHOLINERGIC MUSCARINIC M1 RECEPTOR POSITIVE ALLOESTERIC MODULATOR ACTIVITY FOR THE TREATMENT OF ALZHEIMERS DISEASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-29 WO 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 (13 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 GRM1 59/4885KDM4E 1279/4885ALDH1A1 2868/4885
US-10865200-B2 Nitrogen-containing heterocyclic compound CHRM1, CHRM5, CHRM2 GRM1 59/4885KDM4E 1279/4885ALDH1A1 2868/4885
US-20160152603-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 GRM1 59/4885KDM4E 1279/4885ALDH1A1 2868/4885
US-20240109874-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 GRM1 59/4885KDM4E 1279/4885ALDH1A1 2868/4885
US-20260092052-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM2, CHRM4 GRM1 32/4885KDM4E 1132/4885ALDH1A1 2698/4885
US-20220411413-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 GRM1 59/4885KDM4E 1279/4885ALDH1A1 2868/4885
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 GRM1 65/4885KDM4E 1622/4885ALDH1A1 785/4885
US-20170027921-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 GRM1 59/4885KDM4E 1279/4885ALDH1A1 2868/4885
US-20210009572-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRNA5 GRM1 99/4885KDM4E 1118/4885ALDH1A1 3950/4885
US-20190241547-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 GRM1 59/4885KDM4E 1279/4885ALDH1A1 2868/4885
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 GRM1 64/4885KDM4E 1682/4885ALDH1A1 778/4885
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 GRM1 65/4885KDM4E 1622/4885ALDH1A1 785/4885
US-20150307451-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 GRM1 59/4885KDM4E 1279/4885ALDH1A1 2868/4885

“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.