SCHEMBL3435388

SCHEMBL3435388

[C-]#[N+]c1c(Nc2ccc3c(c2)OCO3)sc(C(=O)c2ccc(F)cc2)c1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.55
HPGD P15428 3/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
ALOX12 P18054 1/20 0.48
MAPT P10636 8/20 0.47
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
TP53 P04637 3/20 0.45
MELK Q14680 1/20 0.44
HTT P42858 2/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 1/20 0.41
PAX8 Q06710 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL3434445 0.90 LMNA (0.48) LMNAKMT2AALDH1A1MEN1MAPT
SCHEMBL3433123 0.90 LMNA (0.59) LMNAKMT2AALDH1A1MEN1ALOX12
SCHEMBL3433119 0.90 MAPT (0.50) LMNAKMT2AALDH1A1MEN1MAPT
SCHEMBL3434553 0.89 LMNA (0.57) LMNAHPGDKMT2AALDH1A1MEN1
SCHEMBL3435411 0.88 MELK (0.51) LMNAHPGDKMT2AALDH1A1MEN1
SCHEMBL3435810 0.86 NPC1 (0.52) LMNAKMT2AALDH1A1ALOX12MAPT
SCHEMBL3434464 0.84 TP53 (0.52) LMNAKMT2AALDH1A1MEN1MAPT
SCHEMBL3433138 0.84 MAPT (0.56) LMNAHPGDKMT2AMEN1MAPT
SCHEMBL3435405 0.84 MAPT (0.47) LMNAKMT2AALDH1A1MEN1ALOX12
SCHEMBL2132299 0.83 ALDH1A1 (0.74) LMNAHPGDKMT2AALDH1A1MEN1

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 LMNA 2175/4885HPGD 4295/4885KMT2A 1161/4885

“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.