SCHEMBL31451

SCHEMBL31451

COC(=O)c1ccc2c(c1)nc(C)n2-c1cccc(C)c1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.67
THRB P10828 1/20 0.64
TP53 P04637 3/20 0.64
HSD17B10 Q99714 1/20 0.60
HTT P42858 1/20 0.58
KMT2A Q03164 3/20 0.58
HPGD P15428 4/20 0.58
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 1/20 0.57
LMNA P02545 2/20 0.56
MAPT P10636 1/20 0.56
MEN1 O00255 2/20 0.54

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
SCHEMBL541343 0.89 HSD17B10 (0.76) ATMTHRBTP53HSD17B10HTT
SCHEMBL25411 0.86 HSD17B10 (0.80) ATMTHRBTP53HSD17B10HTT
SCHEMBL14000400 0.84 POLB (0.57) ATMTHRBTP53HSD17B10HTT
SCHEMBL148148 0.81 KDM4E (0.58) ATMTHRBTP53HSD17B10HTT
SCHEMBL15033453 0.80 ATM (0.58) ATMTHRBTP53HSD17B10HTT
SCHEMBL15020819 0.79 HPGD (0.82) ATMTP53HSD17B10HPGDALDH1A1
SCHEMBL13266757 0.79 ALOX15 (0.64) ATMTHRBTP53HSD17B10KMT2A
SCHEMBL17480781 0.77 ATM (0.71) ATMTP53KMT2AHPGDLMNA
SCHEMBL8366908 0.77 ALDH1A1 (0.61) ATMTHRBTP53HSD17B10HTT
SCHEMBL31489 0.76 RAB9A (0.72) KMT2AKDM4ELMNAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2610255-B1 1H-Benzo[d]imidazol-5-yl compounds and composition for treating inflammatory diseases NEOPHARM CO LTD (KR) 2016-02-24 EP disclosed
US-8809541-B2 Heterocyclic compound, and composition for treating inflammatory diseases using same NEOPHARM CO., LTD. (KR) 2014-08-19 US disclosed
US-8809541-B2 Heterocyclic compound, and composition for treating inflammatory diseases using same NEOPHARM CO., LTD. (KR) 2014-08-19 US disclosed
EP-2610255-A2 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME Neopharm Co., Ltd. (KR) 2013-07-03 EP disclosed
US-20130158047-A1 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME NEOPHARM CO., LTD. (KR) 2013-06-20 US disclosed
US-20130158047-A1 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME NEOPHARM CO., LTD. (KR) 2013-06-20 US disclosed
WO-2012026766-A2 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME (주)네오팜 (KR) 2012-03-01 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 (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-20130158047-A1 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME F2RL1, F2R, F2RL3 ATM 2915/4885THRB 3927/4885TP53 2452/4885

“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.