SCHEMBL3433115

SCHEMBL3433115

[C-]#[N+]c1c(Nc2ccc3c(c2)OCO3)sc(C(=O)c2ccccc2OC)c1N

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.52
MAPT P10636 6/20 0.52
RAB9A P51151 6/20 0.52
TP53 P04637 5/20 0.52
TSHR P16473 3/20 0.52
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
CFTR P13569 1/20 0.43
CTNNB1 P35222 1/20 0.43
WNT3A P56704 1/20 0.43
KMT2A Q03164 1/20 0.42
STK10 O94804 1/20 0.42
SLK Q9H2G2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTGS2 P35354 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
SCHEMBL3434464 0.86 TP53 (0.52) NPC1MAPTRAB9ATP53LMNA
SCHEMBL3434553 0.85 LMNA (0.57) NPC1MAPTRAB9ATP53LMNA
SCHEMBL632468 0.84 MELK (0.54) NPC1MAPTRAB9ATP53TSHR
SCHEMBL3433995 0.84 MAPT (0.59) NPC1MAPTRAB9ATP53LMNA
SCHEMBL3433123 0.83 LMNA (0.59) NPC1MAPTRAB9ATP53LMNA
SCHEMBL3435388 0.81 LMNA (0.55) MAPTRAB9ATP53LMNASMN1; SMN2
SCHEMBL3433119 0.79 MAPT (0.50) NPC1MAPTRAB9ATP53LMNA
SCHEMBL3434445 0.79 LMNA (0.48) NPC1MAPTRAB9ATP53LMNA
SCHEMBL3433138 0.79 MAPT (0.56) NPC1MAPTRAB9ATP53TSHR
SCHEMBL3435405 0.79 MAPT (0.47) NPC1MAPTRAB9ATP53LMNA

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 NPC1 2457/4885MAPT 37/4885RAB9A 2903/4885

“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.