SCHEMBL3433113

SCHEMBL3433113

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

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.60
LMNA P02545 7/20 0.54
TP53 P04637 1/20 0.54
ALDH1A1 P00352 3/20 0.52
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PTGS2 P35354 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRA5 P31644 1/20 0.42
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41

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) MAPTLMNATP53ALDH1A1POLB
SCHEMBL3434552 0.89 TP53 (0.53) MAPTLMNATP53ALDH1A1POLB
SCHEMBL3433106 0.89 MAPT (0.59) MAPTLMNAALDH1A1POLBSMN1; SMN2
SCHEMBL3435380 0.89 MAPT (0.50) MAPTLMNATP53ALDH1A1POLB
SCHEMBL3434468 0.89 HPGD (0.57) MAPTLMNATP53ALDH1A1SMN1; SMN2
SCHEMBL3435399 0.88 TP53 (0.54) MAPTLMNATP53ALDH1A1POLB
SCHEMBL3435392 0.86 MAPT (0.57) MAPTLMNATP53ALDH1A1SMN1; SMN2
SCHEMBL3434460 0.85 CDK5 (0.46) MAPTLMNATP53ALDH1A1POLB
SCHEMBL3433122 0.83 TP53 (0.53) MAPTLMNATP53ALDH1A1POLB
SCHEMBL3435386 0.83 LMNA (0.58) MAPTLMNATP53ALDH1A1POLB

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 MAPT 37/4885LMNA 2175/4885TP53 514/4885

“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.