SCHEMBL632877

SCHEMBL632877

COc1ccc(Nc2sc(C(=O)c3ccc(Cl)cc3)c(N)c2C#N)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.67
MELK Q14680 2/20 0.63
LMNA P02545 5/20 0.60
ALDH1A1 P00352 6/20 0.60
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
HPGD P15428 2/20 0.60
ALOX12 P18054 1/20 0.60
POLB P06746 4/20 0.57
GAA P10253 2/20 0.56
MAPK1 P28482 2/20 0.54
HTT P42858 1/20 0.54
TP53 P04637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
RAB9A P51151 1/20 0.48

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
SCHEMBL2134407 0.92 MELK (0.66) MAPTMELKLMNAALDH1A1KMT2A
SCHEMBL2133361 0.89 MELK (0.61) MAPTMELKLMNAALDH1A1KMT2A
SCHEMBL4481501 0.88 ALDH1A1 (0.67) MAPTMELKLMNAALDH1A1KMT2A
SCHEMBL632367 0.88 ALDH1A1 (0.67) MAPTMELKLMNAALDH1A1KMT2A
SCHEMBL13633822 0.86 ALDH1A1 (0.78) MAPTMELKLMNAALDH1A1KMT2A
SCHEMBL3510359 0.86 MELK (0.58) MAPTMELKLMNAALDH1A1KMT2A
SCHEMBL632059 0.86 ALDH1A1 (0.67) MAPTMELKLMNAALDH1A1KMT2A
SCHEMBL4484841 0.85 LMNA (0.64) MAPTMELKLMNAALDH1A1KMT2A
SCHEMBL632590 0.83 MAPT (0.80) MAPTMELKLMNAALDH1A1KMT2A
SCHEMBL3433122 0.82 TP53 (0.53) MAPTMELKLMNAALDH1A1KMT2A

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
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
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-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 MAPT 37/4885MELK 2516/4885LMNA 2175/4885

“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.