SCHEMBL3433995

SCHEMBL3433995

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
LMNA P02545 5/20 0.51
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 3/20 0.47
CTNNB1 P35222 1/20 0.46
WNT3A P56704 1/20 0.46
MELK Q14680 1/20 0.45
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43

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
SCHEMBL3434553 0.90 LMNA (0.57) MAPTLMNANPC1RAB9AKMT2A
SCHEMBL3434464 0.88 TP53 (0.52) MAPTLMNANPC1RAB9AKMT2A
SCHEMBL3433138 0.88 MAPT (0.56) MAPTLMNANPC1RAB9AKMT2A
SCHEMBL3435405 0.88 MAPT (0.47) MAPTLMNANPC1RAB9AKMT2A
SCHEMBL3434028 0.87 MELK (0.49) MAPTLMNANPC1RAB9AKMT2A
SCHEMBL631621 0.85 MELK (0.61) MAPTLMNANPC1RAB9AKMT2A
SCHEMBL3433123 0.84 LMNA (0.59) MAPTLMNANPC1RAB9AKMT2A
SCHEMBL3433115 0.84 NPC1 (0.52) MAPTLMNANPC1RAB9AKMT2A
SCHEMBL3435388 0.83 LMNA (0.55) MAPTLMNARAB9AKMT2ATP53
SCHEMBL3434445 0.83 LMNA (0.48) MAPTLMNANPC1RAB9AKMT2A

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 2175/4885NPC1 2457/4885

“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.