SCHEMBL3787229

SCHEMBL3787229

NC(=O)c1cccc(N)c1-c1ccc(N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.48
IKBKB O14920 2/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
AURKA O14965 2/20 0.40
MMP2 P08253 1/20 0.40
BCAT2 O15382 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
METAP2 P50579 1/20 0.37
GAA P10253 2/20 0.37
PDK2 Q15119 1/20 0.36
RPS6KB1 P23443 1/20 0.36
PDPK1 O15530 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL29437046 0.94 IKBKB (0.47) PARP1IKBKBKEAP1NFE2L2AURKA
SCHEMBL9746985 0.90 PARP1 (0.51) PARP1IKBKBKEAP1NFE2L2AURKA
SCHEMBL407835 0.87 BCAT2 (0.55) PARP1IKBKBKEAP1NFE2L2MMP2
SCHEMBL29712321 0.87 BCAT2 (0.55) PARP1IKBKBKEAP1NFE2L2MMP2
SCHEMBL28202986 0.86 IKBKB (0.47) PARP1IKBKBKEAP1NFE2L2AURKA
SCHEMBL27952337 0.86 PARP1 (0.48) PARP1IKBKBKEAP1NFE2L2ALDH1A1
SCHEMBL707849 0.85 MMP2 (0.53) MMP2ALDH1A1KDM4EMAPTHPGD
SCHEMBL3783937 0.84 MMP2 (0.39) PARP1MMP2ALDH1A1KDM4EMAPT
SCHEMBL29771871 0.83 IKBKB (0.49) PARP1IKBKBKEAP1NFE2L2AURKA
SCHEMBL3783665 0.82 PARP1 (0.50) PARP1IKBKBKEAP1NFE2L2AURKA

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-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 PARP1 3661/4885IKBKB 2611/4885KEAP1 1245/4885

“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.