SCHEMBL2878426

SCHEMBL2878426

COC(=O)c1ccc(N2CCOC(C)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
HPGD P15428 2/20 0.49
ALOX15 P16050 1/20 0.49
MGLL Q99685 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
GRM2 Q14416 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
MAPT P10636 2/20 0.43
CYP1A2 P05177 1/20 0.43
PKM P14618 1/20 0.43
CYP2C19 P33261 1/20 0.43
TSHR P16473 2/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
PIK3CA P42336 1/20 0.43
MTOR P42345 1/20 0.43

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
SCHEMBL28508408 0.85 ALDH1A1 (0.51) ALDH1A1HPGDALOX15MGLLHSD17B10
SCHEMBL28155857 0.84 MAPT (0.51) ALDH1A1HPGDALOX15KMT2ANPC1
SCHEMBL21000187 0.84 MAPT (0.51) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL1063179 0.81 ALDH1A1 (0.67) ALDH1A1HPGDALOX15MGLLHSD17B10
SCHEMBL6132480 0.78 ALDH1A1 (0.53) ALDH1A1HPGDALOX15MGLLHSD17B10
SCHEMBL6132481 0.78 ALDH1A1 (0.53) ALDH1A1HPGDALOX15MGLLHSD17B10
SCHEMBL6132728 0.77 MAPT (0.52) ALDH1A1HPGDALOX15MGLLHSD17B10
SCHEMBL6132730 0.77 MAPT (0.52) ALDH1A1HPGDALOX15MGLLHSD17B10
SCHEMBL1923959 0.76 ALDH1A1 (0.54) ALDH1A1HPGDALOX15MGLLHSD17B10
SCHEMBL15630932 0.76 ALDH1A1 (0.54) ALDH1A1HPGDALOX15MGLLHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104470902-B N- (3-heteroarylaryl) -4-arylarylarylcarboxamides and analogs as Hedgehog pathway inhibitors and uses thereof 南京英派药业有限公司 2017-05-24 CN disclosed
CN-104470902-A N- (3-heteroarylaryl) -4-arylarylarylcarboxamides and analogs as Hedgehog pathway inhibitors and uses thereof IMPACT THERAPEUTICS INC 2015-03-25 CN disclosed
CN-103570625-A N-(3-aryl-heteroaryl)-4-aryl-aryl carboxamide and analog as hedgehog pathway inhibitors and application thereof IMPACT THERAPEUTICS INC 2014-02-12 CN disclosed
EP-1527070-B1 AZOLE METHYLIDENE CYANIDE DERIVATIVES AND THEIR USE AS PROTEIN KINASE MODULATORS MERCK SERONO SA (CH) 2013-01-09 EP disclosed
US-7776854-B2 Benzazole derivatives for the treatment of scleroderma MERCK SERONO SA (CH) 2010-08-17 US disclosed
US-7465736-B2 Azole methylidene cyanide derivatives and their use as protein kinase modulators LABORATOIRES SERONO S.A. (CH) 2008-12-16 US disclosed
US-20070123530-A1 Azole methylidene cyanide derivatives and their use as protein kinase modulators MERCK SERONO SA (CH) 2007-05-31 US disclosed
EP-1450792-B1 BENZAZOLE DERIVATIVES FOR THE TREATMENT OF SCLERODERMA APPLIED RESEARCH SYSTEMS (AN) 2006-09-27 EP disclosed
US-20050119277-A1 Benzazole derivatives for the treatment of scleroderma APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-06-02 US disclosed
EP-1527070-A1 AZOLE METHYLIDENE CYANIDE DERIVATIVES AND THEIR USE AS PROTEIN KINASE MODULATORS Applied Research Systems ARS Holding N.V. (AN) 2005-05-04 EP disclosed
EP-1450792-A1 BENZAZOLE DERIVATIVES FOR THE TREATMENT OF SCLERODERMA Applied Research Systems ARS Holding N.V. (AN) 2004-09-01 EP disclosed
WO-2003106455-A1 AZOLE METHYLIDENE CYANIDE DERIVATIVES AND THEIR USE AS PROTEIN KINASE MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-12-24 WO disclosed
WO-2003047570-A1 BENZAZOLE DERIVATIVES FOR THE TREATMENT OF SCLERODERMA APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2003-06-12 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 (2 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-20070123530-A1 Azole methylidene cyanide derivatives and their use as protein kinase modulators PRKACA, CSNK1A1, PRKACG ALDH1A1 3474/4885HPGD 679/4885ALOX15 3301/4885
US-20050119277-A1 Benzazole derivatives for the treatment of scleroderma SMAD3, SQOR, TNNI3 ALDH1A1 267/4885HPGD 1085/4885ALOX15 925/4885

“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.