SCHEMBL3433138

SCHEMBL3433138

[C-]#[N+]c1c(Nc2ccc3c(c2)OCO3)sc(C(=O)c2cccc(Cl)c2)c1N

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
LMNA P02545 6/20 0.56
TP53 P04637 4/20 0.56
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 2/20 0.51
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 1/20 0.45
MELK Q14680 1/20 0.42
TSHR P16473 1/20 0.42
GAA P10253 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 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
SCHEMBL3433119 0.90 MAPT (0.50) MAPTLMNATP53RAB9ANPC1
SCHEMBL3435405 0.89 MAPT (0.47) MAPTLMNATP53RAB9ANPC1
SCHEMBL3433995 0.88 MAPT (0.59) MAPTLMNATP53RAB9ANPC1
SCHEMBL3434028 0.87 MELK (0.49) MAPTLMNATP53RAB9ANPC1
SCHEMBL3433123 0.84 LMNA (0.59) MAPTLMNATP53RAB9ANPC1
SCHEMBL3434445 0.84 LMNA (0.48) MAPTLMNATP53RAB9ANPC1
SCHEMBL3435388 0.84 LMNA (0.55) MAPTLMNATP53RAB9ASMN1; SMN2
SCHEMBL2135713 0.84 MELK (0.60) MAPTLMNATP53RAB9ANPC1
SCHEMBL3434553 0.83 LMNA (0.57) MAPTLMNATP53RAB9ANPC1
SCHEMBL3434464 0.82 TP53 (0.52) MAPTLMNATP53RAB9ANPC1

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.