SCHEMBL631443

SCHEMBL631443

CCOc1ccc(Nc2sc(C(=O)c3ccc(OC)cc3OC)c(N)c2C#N)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HPGD P15428 2/20 0.49
ALOX12 P18054 1/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 6/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 3/20 0.48
POLB P06746 2/20 0.48
RAB9A P51151 2/20 0.48
MELK Q14680 2/20 0.47
HTT P42858 1/20 0.47
ZAP70 P43403 1/20 0.47
MAPK8 P45983 2/20 0.44
MAPK9 P45984 2/20 0.44
MAPK10 P53779 2/20 0.44
RPS6KB1 P23443 1/20 0.42
CDK2 P24941 1/20 0.42
PRKD2 Q9BZL6 1/20 0.42

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
SCHEMBL631695 0.92 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AHPGDALOX12
SCHEMBL3544100 0.85 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AHPGDALOX12
SCHEMBL4470667 0.85 MAPT (0.51) ALDH1A1MEN1KMT2AHPGDALOX12
SCHEMBL2136772 0.84 MELK (0.52) ALDH1A1MEN1KMT2AHPGDALOX12
SCHEMBL4487871 0.84 MAPT (0.55) ALDH1A1MEN1KMT2AHPGDALOX12
SCHEMBL3435396 0.83 ZAP70 (0.44) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL4474711 0.83 MELK (0.47) ALDH1A1MEN1KMT2AHPGDALOX12
SCHEMBL4465938 0.83 LMNA (0.52) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL4564885 0.82 MAPT (0.74) ALDH1A1MEN1KMT2AHPGDALOX12
SCHEMBL632951 0.80 LMNA (0.70) ALDH1A1MEN1KMT2AHPGDALOX12

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
US-8410163-B2 Substituted 4-amino-5-benzoyl-2-(phenylamino)thiophene-3-carbonitriles and substituted 4-amino-5-benzoyl-2-(phenylamino)thiophene-3-carboxamides as tubulin polymerization inhibitors TELIK, INC. (US) 2013-04-02 US claimed
US-20120101286-A1 SUBSTITUTED 4-AMINO-5-BENZOYL-2-(PHENYLAMINO)THIOPHENE-3-CARBONITRILES AND SUBSTITUTED 4-AMINO-5-BENZOYL-2-(PHENYLAMINO)THIOPHENE-3-CARBOXAMIDES AS TUBULIN POLYMERIZATION INHIBITORS TELIK INC. (US) 2012-04-26 US claimed
CN-102395581-A Substituted 4-amino-5-benzoyl-2- (phenylamino) thiophene-3-carbonitriles and substituted 4-amino-5-benzoyl-2- (phenylamino) thiophene-3-carboxamides as tubulin polymerization inhibitors TELIK INC 2012-03-28 CN claimed
EP-2419424-A2 Substituted 4-amino-5-benzoyl-2-(phenylamino)thiophene-3-carbonitriles and substituted 4-amino-5-benzoyl-2-(phenylamino)thiophene-3-carboxamides as tubulin polymerization inhibitors Telik, Inc. (US) 2012-02-22 EP claimed
WO-2010120400-A2 Substituted 4-amino-5-benzoyl-2-(phenylamino)thiophene-3-carbonitriles and substituted 4-amino-5-benzoyl-2-(phenylamino)thiophene-3-carboxamides as tubulin polymerization inhibitors TELIK, INC. (US) 2010-10-21 WO claimed
US-8410163-B2 Substituted 4-amino-5-benzoyl-2-(phenylamino)thiophene-3-carbonitriles and substituted 4-amino-5-benzoyl-2-(phenylamino)thiophene-3-carboxamides as tubulin polymerization inhibitors TELIK, INC. (US) 2013-04-02 US disclosed
US-8410163-B2 Substituted 4-amino-5-benzoyl-2-(phenylamino)thiophene-3-carbonitriles and substituted 4-amino-5-benzoyl-2-(phenylamino)thiophene-3-carboxamides as tubulin polymerization inhibitors TELIK, INC. (US) 2013-04-02 US disclosed
US-20120101286-A1 SUBSTITUTED 4-AMINO-5-BENZOYL-2-(PHENYLAMINO)THIOPHENE-3-CARBONITRILES AND SUBSTITUTED 4-AMINO-5-BENZOYL-2-(PHENYLAMINO)THIOPHENE-3-CARBOXAMIDES AS TUBULIN POLYMERIZATION INHIBITORS TELIK INC. (US) 2012-04-26 US disclosed
US-20120101286-A1 SUBSTITUTED 4-AMINO-5-BENZOYL-2-(PHENYLAMINO)THIOPHENE-3-CARBONITRILES AND SUBSTITUTED 4-AMINO-5-BENZOYL-2-(PHENYLAMINO)THIOPHENE-3-CARBOXAMIDES AS TUBULIN POLYMERIZATION INHIBITORS TELIK INC. (US) 2012-04-26 US disclosed
CN-102395581-A Substituted 4-amino-5-benzoyl-2- (phenylamino) thiophene-3-carbonitriles and substituted 4-amino-5-benzoyl-2- (phenylamino) thiophene-3-carboxamides as tubulin polymerization inhibitors TELIK INC 2012-03-28 CN disclosed
EP-2419424-A2 Substituted 4-amino-5-benzoyl-2-(phenylamino)thiophene-3-carbonitriles and substituted 4-amino-5-benzoyl-2-(phenylamino)thiophene-3-carboxamides as tubulin polymerization inhibitors Telik, Inc. (US) 2012-02-22 EP disclosed
WO-2010120400-A2 Substituted 4-amino-5-benzoyl-2-(phenylamino)thiophene-3-carbonitriles and substituted 4-amino-5-benzoyl-2-(phenylamino)thiophene-3-carboxamides as tubulin polymerization inhibitors TELIK, INC. (US) 2010-10-21 WO disclosed
WO-2010120400-A2 Substituted 4-amino-5-benzoyl-2-(phenylamino)thiophene-3-carbonitriles and substituted 4-amino-5-benzoyl-2-(phenylamino)thiophene-3-carboxamides as tubulin polymerization inhibitors TELIK, INC. (US) 2010-10-21 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-20120101286-A1 SUBSTITUTED 4-AMINO-5-BENZOYL-2-(PHENYLAMINO)THIOPHENE-3-CARBONITRILES AND SUBSTITUTED 4-AMINO-5-BENZOYL-2-(PHENYLAMINO)THIOPHENE-3-CARBOXAMIDES AS TUBULIN POLYMERIZATION INHIBITORS TUBB3, TUBB4A, TUBB ALDH1A1 2184/4885MEN1 4223/4885KMT2A 1161/4885

“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.