SCHEMBL2134104

SCHEMBL2134104

N#Cc1c(Nc2ccc3c(c2)OCO3)sc(C(=O)c2cccc(Br)c2)c1N

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MELK Q14680 1/20 0.62
MAPT P10636 7/20 0.55
ALDH1A1 P00352 5/20 0.55
GAA P10253 1/20 0.55
HPGD P15428 2/20 0.53
MAPK1 P28482 2/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
ALOX12 P18054 1/20 0.51
POLB P06746 3/20 0.49
RAB9A P51151 2/20 0.49
LMNA P02545 4/20 0.48
TP53 P04637 2/20 0.46
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 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
SCHEMBL2136982 0.90 MELK (0.61) MELKMAPTALDH1A1GAAHPGD
SCHEMBL2138314 0.90 MELK (0.66) MELKMAPTALDH1A1GAAHPGD
SCHEMBL2135713 0.89 MELK (0.60) MELKMAPTALDH1A1GAAHPGD
SCHEMBL631621 0.88 MELK (0.61) MELKMAPTALDH1A1GAAHPGD
SCHEMBL2134627 0.85 MELK (0.64) MELKMAPTALDH1A1GAAHPGD
SCHEMBL2138442 0.84 MAPT (0.67) MELKMAPTALDH1A1GAAHPGD
SCHEMBL2134305 0.84 MAPT (0.66) MELKMAPTALDH1A1GAAHPGD
SCHEMBL2132299 0.84 ALDH1A1 (0.74) MELKMAPTALDH1A1GAAHPGD
SCHEMBL3435405 0.84 MAPT (0.47) MELKMAPTALDH1A1GAAKMT2A
SCHEMBL631789 0.83 MELK (0.64) MELKMAPTALDH1A1GAAHPGD

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.