SCHEMBL3434468

SCHEMBL3434468

[C-]#[N+]c1c(Nc2ccc(F)cc2)sc(C(=O)c2ccc(Cl)cc2)c1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.57
ALDH1A1 P00352 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
ALOX12 P18054 1/20 0.57
MAPT P10636 12/20 0.53
LMNA P02545 7/20 0.52
HTT P42858 2/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 1/20 0.48
RAB9A P51151 1/20 0.48
PAX8 Q06710 1/20 0.48
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
TP53 P04637 1/20 0.43
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
NPC1 O15118 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
SCHEMBL3435827 0.90 MAPT (0.48) HPGDALDH1A1MEN1KMT2AALOX12
SCHEMBL3433113 0.89 MAPT (0.60) HPGDALDH1A1MEN1KMT2AALOX12
SCHEMBL3433106 0.87 MAPT (0.59) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL3434552 0.87 TP53 (0.53) HPGDALDH1A1MEN1KMT2AALOX12
SCHEMBL3435380 0.87 MAPT (0.50) HPGDALDH1A1MEN1KMT2AALOX12
SCHEMBL3435399 0.86 TP53 (0.54) HPGDALDH1A1MEN1KMT2AALOX12
SCHEMBL3434460 0.85 CDK5 (0.46) HPGDALDH1A1MEN1KMT2AALOX12
SCHEMBL3435392 0.83 MAPT (0.57) HPGDALDH1A1MAPTLMNAHTT
SCHEMBL3433122 0.81 TP53 (0.53) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL3433119 0.81 MAPT (0.50) ALDH1A1MEN1KMT2AMAPTLMNA

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 2 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

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 HPGD 4295/4885ALDH1A1 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.