SCHEMBL1361427

SCHEMBL1361427

COC(=O)c1cc(N)cc(C)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.51
POLB P06746 2/20 0.51
GAA P10253 6/20 0.46
ALDH1A1 P00352 9/20 0.44
HPGD P15428 5/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 4/20 0.42
MAPT P10636 3/20 0.42
GLA P06280 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42
CFTR P13569 1/20 0.42
ABL1 P00519 1/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 2/20 0.40
ALOX15 P16050 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NQO2 P16083 1/20 0.39

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
SCHEMBL5326571 0.84 KDM4E (0.52) KDM4EPOLBALDH1A1HPGDHSD17B10
SCHEMBL25514839 0.84 KDM4E (0.39) KDM4EPOLBALDH1A1HPGDTSHR
SCHEMBL25514830 0.84 NNMT (0.45) KDM4EPOLBGAAALDH1A1HPGD
SCHEMBL20589795 0.82 KDM4E (0.65) KDM4EPOLBGAAALDH1A1HPGD
SCHEMBL31095391 0.82 KDM4E (0.65) KDM4EPOLBGAAALDH1A1HPGD
SCHEMBL12345885 0.81 KDM4E (0.46) KDM4EPOLBGAAALDH1A1HPGD
SCHEMBL524175 0.81 GAA (0.49) KDM4EPOLBGAAALDH1A1HPGD
SCHEMBL28104177 0.81 KDM4E (0.50) KDM4EPOLBGAAALDH1A1HPGD
SCHEMBL29046678 0.80 CYP3A4 (0.53) KDM4EPOLBGAAALDH1A1HPGD
SCHEMBL19100836 0.80 CNR1 (0.47) KDM4EPOLBGAAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426607-B2 Substituted amino-benzimidazoles, medicaments comprimising said compound, their use and their method of manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-23 US disclosed
US-20110288139-A1 SUBSTITUTED AMINO-BENZIMIDAZOLES, MEDICAMENTS COMPRIMISING SAID COMPOUND, THEIR USE AND THEIR METHOD OF MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-24 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 (1 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-20110288139-A1 SUBSTITUTED AMINO-BENZIMIDAZOLES, MEDICAMENTS COMPRIMISING SAID COMPOUND, THEIR USE AND THEIR METHOD OF MANUFACTURE PSEN1, AADAT, PSEN2 KDM4E 532/4885POLB 3262/4885GAA 460/4885

“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.