SCHEMBL3433958

SCHEMBL3433958

[C-]#[N+]c1c(Nc2ccc(OCC)cc2)sc(C(=O)c2ccc(OC)cc2)c1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.52
MAPT P10636 7/20 0.49
KDM4E B2RXH2 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
RAB9A P51151 2/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
PAX8 Q06710 1/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 3/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ZAP70 P43403 1/20 0.48
NPC1 O15118 4/20 0.47
CYP1A2 P05177 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.44
MELK Q14680 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
SCHEMBL3435386 0.93 LMNA (0.58) LMNAMAPTKDM4ESMN1; SMN2TDP1
SCHEMBL3435392 0.92 MAPT (0.57) LMNAMAPTKDM4ESMN1; SMN2TDP1
SCHEMBL3435798 0.88 LMNA (0.53) LMNAMAPTKDM4ESMN1; SMN2TDP1
SCHEMBL3433106 0.88 MAPT (0.59) LMNAMAPTKDM4ESMN1; SMN2TDP1
SCHEMBL3435400 0.88 LMNA (0.48) LMNAMAPTKDM4ESMN1; SMN2TDP1
SCHEMBL3435396 0.85 ZAP70 (0.44) LMNAMAPTSMN1; SMN2TDP1RAB9A
SCHEMBL3434001 0.84 MAPT (0.62) LMNAMAPTKDM4ESMN1; SMN2TDP1
SCHEMBL3544100 0.82 ALDH1A1 (0.65) LMNAMAPTKDM4ESMN1; SMN2TDP1
SCHEMBL3435391 0.80 HRH3 (0.49) LMNAMAPTKDM4ESMN1; SMN2TDP1
SCHEMBL3434553 0.80 LMNA (0.57) LMNAMAPTKDM4ESMN1; SMN2TDP1

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 37/4885KDM4E 1031/4885

“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.