SCHEMBL3784596

SCHEMBL3784596

NC(=O)c1ccc(N)cc1-c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 2/20 0.63
IKBKB O14920 4/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.51
CHUK O15111 2/20 0.49
IKBKE Q14164 1/20 0.49
PKMYT1 Q99640 1/20 0.49
PLA2G2A P14555 4/20 0.48
PLA2G10 O15496 3/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SLCO1B1 Q9Y6L6 1/20 0.46
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
ESR2 Q92731 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PTPN1 P18031 1/20 0.44
BRD4 O60885 2/20 0.44
RORC P51449 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
SCHEMBL29203839 0.90 BCAT2 (0.48) BCAT2IKBKBPTGDR2CHUKIKBKE
SCHEMBL29771744 0.89 BCAT2 (0.48) BCAT2IKBKBPTGDR2PLA2G2APLA2G10
SCHEMBL3791222 0.89 BCAT2 (0.47) BCAT2IKBKBPTGDR2CHUKIKBKE
SCHEMBL31506393 0.89 BCAT2 (0.47) BCAT2IKBKBPTGDR2CHUKIKBKE
SCHEMBL3790353 0.87 MAP4K4 (0.48) BCAT2IKBKBPLA2G2APLA2G10SLCO1B1
SCHEMBL31377031 0.87 MAPT (0.55) BCAT2PTGDR2MAPTALDH1A1CYP3A4
SCHEMBL451330 0.87 MAPT (0.55) BCAT2PTGDR2MAPTALDH1A1CYP3A4
SCHEMBL7524261 0.87 RORC (0.55) BCAT2IKBKBPTGDR2NPC1RAB9A
SCHEMBL3794623 0.85 BCAT2 (0.63) BCAT2IKBKBPTGDR2CHUKIKBKE
Hydrochloric Acid SCHEMBL6775126 0.85 MAPT (0.53) BCAT2PTGDR2MAPTALDH1A1CYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3074378-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS Novogen Ltd. (AU) 2016-10-05 EP disclosed
WO-2015074123-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS Novogen ltd (AU) 2015-05-28 WO disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 BCAT2 372/4885IKBKB 2611/4885PTGDR2 3672/4885

“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.