SCHEMBL2134407

SCHEMBL2134407

COc1ccc(C(=O)c2sc(Nc3ccc(OC)c(OC)c3)c(C#N)c2N)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MELK Q14680 2/20 0.66
MAPT P10636 8/20 0.62
ALDH1A1 P00352 7/20 0.62
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
POLB P06746 3/20 0.62
GAA P10253 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
HPGD P15428 3/20 0.62
ALOX12 P18054 1/20 0.62
LMNA P02545 6/20 0.56
HTT P42858 3/20 0.56
MAPK1 P28482 2/20 0.56
TUBB8B A6NNZ2 1/20 0.53
TUBB4A P04350 1/20 0.53
TUBB P07437 1/20 0.53
TUBB4B P68371 1/20 0.53
TUBB3 Q13509 1/20 0.53
TUBB2A Q13885 1/20 0.53
TUBB8 Q3ZCM7 1/20 0.53

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
SCHEMBL632877 0.92 MAPT (0.67) MELKMAPTALDH1A1MEN1KMT2A
SCHEMBL2132475 0.90 ALDH1A1 (0.74) MELKMAPTALDH1A1MEN1KMT2A
SCHEMBL2133361 0.90 MELK (0.61) MELKMAPTALDH1A1MEN1KMT2A
SCHEMBL3510359 0.88 MELK (0.58) MELKMAPTALDH1A1MEN1KMT2A
SCHEMBL4487871 0.87 MAPT (0.55) MELKMAPTALDH1A1MEN1KMT2A
SCHEMBL2133842 0.85 MELK (0.70) MELKMAPTALDH1A1MEN1KMT2A
SCHEMBL4481501 0.85 ALDH1A1 (0.67) MELKMAPTALDH1A1MEN1KMT2A
SCHEMBL4473082 0.85 ALDH1A1 (0.85) MELKMAPTALDH1A1MEN1KMT2A
SCHEMBL632367 0.85 ALDH1A1 (0.67) MELKMAPTALDH1A1MEN1KMT2A
SCHEMBL4496937 0.85 MAPT (0.80) MELKMAPTALDH1A1MEN1KMT2A

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 5 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
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
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 MELK 2516/4885MAPT 37/4885ALDH1A1 2184/4885

“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.