SCHEMBL3435386

SCHEMBL3435386

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.58
MAPT P10636 9/20 0.55
TDP1 Q9NUW8 3/20 0.55
HPGD P15428 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 2/20 0.55
HTT P42858 1/20 0.55
RAB9A P51151 1/20 0.55
PAX8 Q06710 1/20 0.55
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
NPC1 O15118 2/20 0.54
ALDH1A1 P00352 4/20 0.53
GAA P10253 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
POLB P06746 1/20 0.53
MELK Q14680 1/20 0.49
CDK5 Q00535 2/20 0.48
CDK5R1 Q15078 2/20 0.48
CCNA2 P20248 1/20 0.47

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
SCHEMBL3435798 0.94 LMNA (0.53) LMNAMAPTTDP1HPGDSMN1; SMN2
SCHEMBL3433106 0.94 MAPT (0.59) LMNAMAPTTDP1HPGDSMN1; SMN2
SCHEMBL3433958 0.93 LMNA (0.52) LMNAMAPTTDP1HPGDSMN1; SMN2
SCHEMBL3434001 0.90 MAPT (0.62) LMNAMAPTTDP1HPGDSMN1; SMN2
SCHEMBL3435400 0.88 LMNA (0.48) LMNAMAPTTDP1HPGDSMN1; SMN2
SCHEMBL3434553 0.86 LMNA (0.57) LMNAMAPTTDP1HPGDSMN1; SMN2
SCHEMBL3435380 0.85 MAPT (0.50) LMNAMAPTTDP1HPGDSMN1; SMN2
SCHEMBL3435813 0.85 MAPT (0.58) LMNAMAPTTDP1HPGDSMN1; SMN2
SCHEMBL3434549 0.85 MAPT (0.46) LMNAMAPTTDP1HPGDSMN1; SMN2
SCHEMBL3435392 0.84 MAPT (0.57) LMNAMAPTTDP1HPGDSMN1; 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 37/4885TDP1 830/4885

“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.