SCHEMBL3434567

SCHEMBL3434567

[C-]#[N+]c1c(Nc2ccc(OC)cc2OC)sc(C(=O)c2ccc(OC)cc2OC)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
LMNA P02545 3/20 0.47
TP53 P04637 1/20 0.47
NPC1 O15118 1/20 0.43
ABCC1 P33527 2/20 0.42
ABCG2 Q9UNQ0 2/20 0.42
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 2/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
SHMT2 P34897 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL3435813 0.90 MAPT (0.58) MAPTLMNATP53NPC1KDM4E
SCHEMBL3434549 0.90 MAPT (0.46) MAPTLMNANPC1ABCC1ABCG2
SCHEMBL3435396 0.84 ZAP70 (0.44) MAPTLMNATP53NPC1ABCC1
SCHEMBL3435830 0.82 MAPT (0.51) MAPTLMNATP53KDM4EGAA
SCHEMBL2136772 0.81 MELK (0.52) MAPTLMNATP53NPC1ABCC1
SCHEMBL3434001 0.74 MAPT (0.62) MAPTLMNATP53NPC1ABCC1
SCHEMBL3435386 0.73 LMNA (0.58) MAPTLMNATP53NPC1KDM4E
SCHEMBL2136562 0.71 MELK (0.66) MAPTLMNATP53KDM4EGAA
SCHEMBL631695 0.71 ALDH1A1 (0.54) MAPTLMNANPC1ABCC1ABCG2
SCHEMBL4473035 0.71 MELK (0.59) MAPTLMNATP53NPC1GAA

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 MAPT 37/4885LMNA 2175/4885TP53 514/4885

“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.