SCHEMBL3434553

SCHEMBL3434553

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.57
MAPT P10636 8/20 0.53
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
ALOX12 P18054 2/20 0.47
GAA P10253 2/20 0.47
TP53 P04637 3/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
MELK Q14680 1/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PKM P14618 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 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
SCHEMBL3433123 0.91 LMNA (0.59) LMNAMAPTRAB9ANPC1ALDH1A1
SCHEMBL3433995 0.90 MAPT (0.59) LMNAMAPTRAB9ANPC1TP53
SCHEMBL3434464 0.90 TP53 (0.52) LMNAMAPTRAB9ANPC1ALDH1A1
SCHEMBL3433119 0.89 MAPT (0.50) LMNAMAPTRAB9ANPC1ALDH1A1
SCHEMBL3434445 0.89 LMNA (0.48) LMNAMAPTRAB9ANPC1ALDH1A1
SCHEMBL3435388 0.89 LMNA (0.55) LMNAMAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL3435411 0.86 MELK (0.51) LMNAMAPTALDH1A1SMN1; SMN2ALOX12
SCHEMBL3435386 0.86 LMNA (0.58) LMNAMAPTRAB9ANPC1ALDH1A1
SCHEMBL3435810 0.86 NPC1 (0.52) LMNAMAPTRAB9ANPC1ALDH1A1
SCHEMBL3433115 0.85 NPC1 (0.52) LMNAMAPTRAB9ANPC1SMN1; SMN2

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 2175/4885MAPT 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.