SCHEMBL3544100

SCHEMBL3544100

CCOc1ccc(Nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2C#N)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
HPGD P15428 3/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
ALOX12 P18054 1/20 0.65
MELK Q14680 2/20 0.64
MAPT P10636 8/20 0.62
POLB P06746 2/20 0.61
GAA P10253 1/20 0.61
LMNA P02545 5/20 0.59
MAPK1 P28482 2/20 0.59
HTT P42858 2/20 0.59
RAB9A P51151 2/20 0.56
ZAP70 P43403 1/20 0.50
KDM4E B2RXH2 2/20 0.49
PAX8 Q06710 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49

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
SCHEMBL2132475 0.93 ALDH1A1 (0.74) ALDH1A1HPGDMEN1KMT2AALOX12
SCHEMBL632951 0.92 LMNA (0.70) ALDH1A1HPGDMEN1KMT2AALOX12
SCHEMBL4564885 0.92 MAPT (0.74) ALDH1A1HPGDMEN1KMT2AALOX12
SCHEMBL632367 0.88 ALDH1A1 (0.67) ALDH1A1HPGDMEN1KMT2AALOX12
SCHEMBL2133842 0.88 MELK (0.70) ALDH1A1HPGDMEN1KMT2AALOX12
SCHEMBL4473082 0.88 ALDH1A1 (0.85) ALDH1A1HPGDMEN1KMT2AALOX12
SCHEMBL4481501 0.88 ALDH1A1 (0.67) ALDH1A1HPGDMEN1KMT2AALOX12
SCHEMBL2133120 0.88 ALDH1A1 (0.59) ALDH1A1HPGDMEN1KMT2AALOX12
SCHEMBL4473381 0.87 ALDH1A1 (0.80) ALDH1A1HPGDMEN1KMT2AALOX12
SCHEMBL4496937 0.87 MAPT (0.80) ALDH1A1HPGDMEN1KMT2AALOX12

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 ALDH1A1 2184/4885HPGD 4295/4885MEN1 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.