SCHEMBL14690307

SCHEMBL14690307

C=C(C)C(=O)Nc1cccc(N=Nc2cccc(NC(=O)C(=C)C)c2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.66
MAPT P10636 3/20 0.49
RXFP1 Q9HBX9 1/20 0.46
GPR35 Q9HC97 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
CYP1A2 P05177 1/20 0.42
HSD17B10 Q99714 1/20 0.42
BAZ1A Q9NRL2 1/20 0.41
PTPN11 Q06124 1/20 0.41
JAK3 P52333 1/20 0.40

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
SCHEMBL14431060 0.87 TDP1 (0.55) TDP1MAPTRXFP1GPR35ALDH1A1
SCHEMBL8078447 0.87 TDP1 (0.55) TDP1MAPTRXFP1GPR35ALDH1A1
SCHEMBL1098272 0.86 TDP1 (0.79) TDP1RXFP1GPR35ALDH1A1KDM4E
SCHEMBL4380848 0.81 TDP1 (0.48) TDP1MAPTRXFP1GPR35ALDH1A1
SCHEMBL4126180 0.80 MAPT (0.70) TDP1MAPTRXFP1ALDH1A1KDM4E
SCHEMBL10491540 0.80 MAPT (0.70) TDP1MAPTRXFP1ALDH1A1KDM4E
SCHEMBL8477048 0.79 TDP1 (0.70) TDP1RXFP1ALDH1A1NPC1RAB9A
SCHEMBL5421444 0.79 TDP1 (1.00) TDP1ALDH1A1POLBL3MBTL1NPC1
SCHEMBL216958 0.79 TDP1 (0.70) TDP1MAPTRXFP1GPR35ALDH1A1
SCHEMBL268927 0.79 RXFP1 (0.61) TDP1MAPTRXFP1ALDH1A1KDM4E

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-9890351-B2 Encapsulates THE PROCTER & GAMBLE COMPANY (US) 2018-02-13 US disclosed
EP-2741731-B1 ENCAPSULATES PROCTER & GAMBLE (US) 2017-05-17 EP disclosed
US-20130039962-A1 ENCAPSULATES ENCAPSYS, LLC 2013-02-14 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-20130039962-A1 ENCAPSULATES ABCB4, PPIB, FLNB TDP1 2006/4885MAPT 1158/4885RXFP1 4632/4885

“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.