SCHEMBL2138442

SCHEMBL2138442

Cc1ccc(C(=O)c2sc(Nc3ccc4c(c3)OCO4)c(C#N)c2N)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.67
ALDH1A1 P00352 4/20 0.67
POLB P06746 3/20 0.67
MELK Q14680 1/20 0.66
LMNA P02545 4/20 0.59
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
HPGD P15428 2/20 0.59
ALOX12 P18054 2/20 0.59
TP53 P04637 2/20 0.56
GAA P10253 1/20 0.55
KDM4E B2RXH2 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
KLK7 P49862 1/20 0.54
MAPK1 P28482 2/20 0.53
HTT P42858 1/20 0.53
THRB P10828 1/20 0.51
RAB9A P51151 3/20 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
SCHEMBL2134627 0.91 MELK (0.64) MAPTALDH1A1POLBMELKLMNA
SCHEMBL631789 0.91 MELK (0.64) MAPTALDH1A1POLBMELKLMNA
SCHEMBL2134305 0.90 MAPT (0.66) MAPTALDH1A1POLBMELKLMNA
SCHEMBL2138314 0.90 MELK (0.66) MAPTALDH1A1POLBMELKLMNA
SCHEMBL2132299 0.90 ALDH1A1 (0.74) MAPTALDH1A1POLBMELKLMNA
SCHEMBL2131675 0.90 MELK (0.62) MAPTALDH1A1POLBMELKLMNA
SCHEMBL3519490 0.87 MELK (0.60) MAPTALDH1A1POLBMELKLMNA
SCHEMBL2130690 0.86 MELK (0.63) MAPTALDH1A1POLBMELKLMNA
SCHEMBL631621 0.85 MELK (0.61) MAPTALDH1A1POLBMELKLMNA
SCHEMBL2136982 0.85 MELK (0.61) MAPTALDH1A1POLBMELKLMNA

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 MAPT 37/4885ALDH1A1 2184/4885POLB 745/4885

“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.