SCHEMBL3434445

SCHEMBL3434445

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.48
MELK Q14680 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
TP53 P04637 4/20 0.45
MAPT P10636 5/20 0.45
P2RX4 Q99571 1/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
HSP90AA1 P07900 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39

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
SCHEMBL3433119 0.90 MAPT (0.50) LMNAMELKNPC1RAB9AKMT2A
SCHEMBL3433123 0.90 LMNA (0.59) LMNAMELKNPC1RAB9AKMT2A
SCHEMBL3435388 0.90 LMNA (0.55) LMNAMELKRAB9AKMT2AMEN1
SCHEMBL3435405 0.90 MAPT (0.47) LMNAMELKNPC1RAB9AKMT2A
SCHEMBL3434553 0.89 LMNA (0.57) LMNAMELKNPC1RAB9AKMT2A
SCHEMBL3435411 0.88 MELK (0.51) LMNAMELKKMT2AMEN1TP53
SCHEMBL3435810 0.86 NPC1 (0.52) LMNAMELKNPC1RAB9AKMT2A
SCHEMBL3434464 0.84 TP53 (0.52) LMNAMELKNPC1RAB9AKMT2A
SCHEMBL3433138 0.84 MAPT (0.56) LMNAMELKNPC1RAB9AKMT2A
SCHEMBL2138314 0.83 MELK (0.66) LMNAMELKNPC1RAB9AKMT2A

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 2175/4885MELK 2516/4885NPC1 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.