SCHEMBL18746471

SCHEMBL18746471

c1ccc2sc(-c3ccc4cc(-c5ccc6nc[nH]c6c5)oc4c3)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TP53 P04637 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
QPCT Q16769 11/20 0.42
QPCTL Q9NXS2 4/20 0.39
MAPT P10636 1/20 0.39
TERT O14746 1/20 0.39
APP P05067 2/20 0.38
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
ERN1 O75460 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL22871240 0.92 APP (0.38) KDM4ENPC1ALDH1A1TP53RAB9A
SCHEMBL19368366 0.92 KDM4E (0.49) KDM4ENPC1ALDH1A1TP53RAB9A
SCHEMBL20840948 0.92 KDM4E (0.46) KDM4ENPC1ALDH1A1TP53RAB9A
SCHEMBL23136933 0.86 QPCT (0.52) KDM4ENPC1ALDH1A1TP53RAB9A
SCHEMBL21577383 0.82 APP (0.41) APPERN1CA1CA2CA9
SCHEMBL20417352 0.82 APP (0.41) APPBRD4ERN1CA1CA2
SCHEMBL19134465 0.81 KDM4E (0.63) KDM4ENPC1ALDH1A1TP53RAB9A
SCHEMBL18610454 0.80 QPCT (0.45) KDM4ENPC1ALDH1A1TP53RAB9A
SCHEMBL20121979 0.77 KDM4E (0.52) KDM4ENPC1ALDH1A1TP53RAB9A
SCHEMBL20341033 0.77 QPCT (0.44) KDM4ENPC1ALDH1A1TP53RAB9A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11685745-B2 Substituted benzoxazole and benzofuran compounds as PDE7 inhibitors DART NEUROSCIENCE, LLC (US) 2023-06-27 US disclosed
US-20220267351-A1 SUBSTITUTED BENZOXAZOLE AND BENZOFURAN COMPOUNDS AS PDE7 INHIBITORS DART NEUROSCIENCE, LLC 2022-08-25 US disclosed
US-11091474-B2 Alkoxy bis-heteroaryl derivatives as modulators of protein aggregation UCB Biopharma SRL (BE) 2021-08-17 US disclosed
US-20200291013-A1 ALKOXY BIS-HETEROARYL DERIVATIVES AS MODULATORS OF PROTEIN AGGREGATION UCB BIOPHARMA SPRL (BE) 2020-09-17 US disclosed
US-20180215732-A9 BENZOIMIDAZOLES AS PROLYL HYDROXYLASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2018-08-02 US disclosed
US-20180057470-A1 COMPOUNDS FOR THERAPEUTIC USE DART NEUROSCIENCE, LLC 2018-03-01 US disclosed
US-20180022733-A1 BENZOIMIDAZOLES AS PROLYL HYDROXYLASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2018-01-25 US disclosed
US-9763949-B2 EGFR modulators and uses thereof ACEA BIOSCIENCES INC. (US) 2017-09-19 US disclosed
US-9623027-B2 2017-04-18 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 (7 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-11685745-B2 Substituted benzoxazole and benzofuran compounds as PDE7 inhibitors PDE7A, PDE7B, PDE8B KDM4E 2578/4885NPC1 3681/4885ALDH1A1 2216/4885
US-20180022733-A1 BENZOIMIDAZOLES AS PROLYL HYDROXYLASE INHIBITORS P4HA1, PAH, EGLN3 KDM4E 548/4885NPC1 1042/4885ALDH1A1 46/4885
US-20200291013-A1 ALKOXY BIS-HETEROARYL DERIVATIVES AS MODULATORS OF PROTEIN AGGREGATION PARK7, HTT, SNCA KDM4E 1045/4885NPC1 2684/4885ALDH1A1 4393/4885
US-20180215732-A9 BENZOIMIDAZOLES AS PROLYL HYDROXYLASE INHIBITORS P4HA1, PAH, EGLN3 KDM4E 548/4885NPC1 1042/4885ALDH1A1 46/4885
US-11091474-B2 Alkoxy bis-heteroaryl derivatives as modulators of protein aggregation PARK7, HTT, SNCA KDM4E 1045/4885NPC1 2684/4885ALDH1A1 4393/4885
US-20220267351-A1 SUBSTITUTED BENZOXAZOLE AND BENZOFURAN COMPOUNDS AS PDE7 INHIBITORS PDE7A, PDE7B, PDE8B KDM4E 2578/4885NPC1 3681/4885ALDH1A1 2216/4885
US-20180057470-A1 COMPOUNDS FOR THERAPEUTIC USE OPRK1, ACHE, OPRL1 KDM4E 3883/4885NPC1 341/4885ALDH1A1 250/4885

“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.