SCHEMBL3510359

SCHEMBL3510359

CCN(CC)c1ccc(C(=O)c2sc(Nc3ccc(OC)c(OC)c3)c(C#N)c2N)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MELK Q14680 3/20 0.58
ALDH1A1 P00352 7/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
HPGD P15428 3/20 0.55
ALOX12 P18054 1/20 0.55
MAPT P10636 7/20 0.53
POLB P06746 3/20 0.52
GAA P10253 2/20 0.52
LMNA P02545 3/20 0.50
MAPK1 P28482 2/20 0.50
HTT P42858 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
RAB9A P51151 1/20 0.49
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP3A4 P08684 1/20 0.46
KLK7 P49862 1/20 0.46
TP53 P04637 1/20 0.43

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
SCHEMBL2133361 0.90 MELK (0.61) MELKALDH1A1MEN1KMT2AHPGD
SCHEMBL2134407 0.88 MELK (0.66) MELKALDH1A1MEN1KMT2AHPGD
SCHEMBL632877 0.86 MAPT (0.67) MELKALDH1A1MEN1KMT2AHPGD
SCHEMBL3514199 0.85 LMNA (0.55) MELKALDH1A1MEN1KMT2AHPGD
SCHEMBL3435812 0.84 MAPT (0.49) MELKALDH1A1MEN1KMT2AHPGD
SCHEMBL3519490 0.82 MELK (0.60) MELKALDH1A1MEN1KMT2AHPGD
SCHEMBL2132475 0.78 ALDH1A1 (0.74) MELKALDH1A1MEN1KMT2AHPGD
SCHEMBL2130690 0.78 MELK (0.63) MELKALDH1A1MEN1KMT2AHPGD
SCHEMBL3544100 0.76 ALDH1A1 (0.65) MELKALDH1A1MEN1KMT2AHPGD
SCHEMBL4487871 0.75 MAPT (0.55) MELKALDH1A1MEN1KMT2AHPGD

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 3 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 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 2516/4885ALDH1A1 2184/4885MEN1 4223/4885

“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.