SCHEMBL3514199

SCHEMBL3514199

CCN(CC)c1ccc(C(=O)c2sc(Nc3ccc(OC)cc3OC)c(C#N)c2N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
MELK Q14680 2/20 0.54
MAPT P10636 9/20 0.51
TP53 P04637 1/20 0.47
ALDH1A1 P00352 6/20 0.47
POLB P06746 2/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALOX12 P18054 1/20 0.47
GAA P10253 1/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C19 P33261 3/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP3A4 P08684 2/20 0.46
KLK7 P49862 1/20 0.46
MAPK1 P28482 2/20 0.43
HTT P42858 2/20 0.43
RAB9A P51151 1/20 0.43
CYP2D6 P10635 1/20 0.41

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
SCHEMBL2131526 0.90 MELK (0.56) LMNAMELKMAPTTP53ALDH1A1
SCHEMBL2136562 0.90 MELK (0.66) LMNAMELKMAPTTP53ALDH1A1
SCHEMBL3510359 0.85 MELK (0.58) LMNAMELKMAPTTP53ALDH1A1
SCHEMBL3435830 0.84 MAPT (0.51) LMNAMELKMAPTTP53ALDH1A1
SCHEMBL2136772 0.82 MELK (0.52) LMNAMELKMAPTTP53ALDH1A1
SCHEMBL632181 0.76 MAPT (0.68) LMNAMELKMAPTTP53ALDH1A1
SCHEMBL4480170 0.76 ALDH1A1 (0.70) LMNAMELKMAPTTP53ALDH1A1
SCHEMBL2134407 0.76 MELK (0.66) LMNAMELKMAPTTP53ALDH1A1
SCHEMBL2132475 0.76 ALDH1A1 (0.74) LMNAMELKMAPTALDH1A1POLB
SCHEMBL4465938 0.75 LMNA (0.52) LMNAMELKMAPTTP53ALDH1A1

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 3 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
WO-2010120400-A2 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) 2010-10-21 WO 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 2516/4885MAPT 37/4885

“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.