SCHEMBL3434464

SCHEMBL3434464

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.52
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
PKM P14618 1/20 0.52
MAPT P10636 8/20 0.51
LMNA P02545 5/20 0.51
MELK Q14680 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TUBB8B A6NNZ2 1/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44

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) TP53RAB9ANPC1SMN1; SMN2PKM
SCHEMBL3433995 0.88 MAPT (0.59) TP53RAB9ANPC1MAPTLMNA
SCHEMBL3433123 0.86 LMNA (0.59) TP53RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL3433115 0.86 NPC1 (0.52) TP53RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL3433119 0.84 MAPT (0.50) TP53RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL3434445 0.84 LMNA (0.48) TP53RAB9ANPC1SMN1; SMN2PKM
SCHEMBL3435388 0.84 LMNA (0.55) TP53RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL2130690 0.84 MELK (0.63) TP53RAB9ANPC1SMN1; SMN2PKM
SCHEMBL3434001 0.83 MAPT (0.62) TP53RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL3433138 0.82 MAPT (0.56) TP53RAB9ANPC1SMN1; SMN2MAPT

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 TP53 514/4885RAB9A 2903/4885NPC1 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.