SCHEMBL2134305

SCHEMBL2134305

N#Cc1c(Nc2ccc3c(c2)OCO3)sc(C(=O)c2ccc(Cl)cc2)c1N

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.66
MELK Q14680 1/20 0.63
ALDH1A1 P00352 4/20 0.59
KMT2A Q03164 3/20 0.59
HPGD P15428 2/20 0.59
MEN1 O00255 2/20 0.59
ALOX12 P18054 1/20 0.59
GAA P10253 1/20 0.55
LMNA P02545 5/20 0.53
POLB P06746 2/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
TP53 P04637 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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) MAPTMELKALDH1A1KMT2AHPGD
SCHEMBL2132299 0.90 ALDH1A1 (0.74) MAPTMELKALDH1A1KMT2AHPGD
SCHEMBL2138314 0.90 MELK (0.66) MAPTMELKALDH1A1KMT2AHPGD
SCHEMBL2138442 0.90 MAPT (0.67) MAPTMELKALDH1A1KMT2AHPGD
SCHEMBL2135713 0.90 MELK (0.60) MAPTMELKALDH1A1KMT2AHPGD
SCHEMBL631789 0.89 MELK (0.64) MAPTMELKALDH1A1KMT2AHPGD
SCHEMBL2131675 0.88 MELK (0.62) MAPTMELKALDH1A1KMT2AHPGD
SCHEMBL3519490 0.86 MELK (0.60) MAPTMELKALDH1A1KMT2AHPGD
SCHEMBL13633822 0.85 ALDH1A1 (0.78) MAPTMELKALDH1A1KMT2AHPGD
SCHEMBL2136982 0.85 MELK (0.61) MAPTMELKALDH1A1KMT2AHPGD

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 37/4885MELK 2516/4885ALDH1A1 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.