SCHEMBL3781170

SCHEMBL3781170

NC(=O)c1ccc(-c2ccccc2)c(N)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 4/20 0.53
CHEK2 O96017 3/20 0.53
MKNK2 Q9HBH9 3/20 0.49
BCAT2 O15382 2/20 0.48
HSD17B10 Q99714 2/20 0.48
CYP3A4 P08684 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
POLB P06746 1/20 0.48
PARP1 P09874 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
DHODH Q02127 2/20 0.47
IKBKB O14920 2/20 0.47
ALDH1A1 P00352 1/20 0.47
ADAMTS4 O75173 1/20 0.46

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
SCHEMBL3098750 0.87 ALDH1A1 (0.53) HSD17B10L3MBTL1POLBMAPTTDP1
SCHEMBL3790168 0.85 PARP10 (0.47) MKNK1CHEK2MKNK2HSD17B10TDP1
Hydrochloric Acid SCHEMBL29064766 0.85 ALDH1A1 (0.51) HSD17B10L3MBTL1POLBMAPTTDP1
Hydrochloric Acid SCHEMBL6619824 0.85 ALDH1A1 (0.51) HSD17B10L3MBTL1POLBMAPTTDP1
SCHEMBL3788399 0.85 CHEK2 (0.53) MKNK1CHEK2MKNK2BCAT2HSD17B10
SCHEMBL2026663 0.85 L3MBTL1 (0.52) MKNK1CHEK2MKNK2BCAT2HSD17B10
SCHEMBL30903715 0.85 L3MBTL1 (0.52) MKNK1CHEK2MKNK2BCAT2HSD17B10
SCHEMBL3785246 0.84 PARP1 (0.42) MKNK1CHEK2MKNK2PARP1MAP4K4
SCHEMBL25365029 0.84 ADAMTS4 (0.48) MKNK1CHEK2BCAT2HSD17B10POLB
SCHEMBL3800105 0.84 MAPT (0.55) HSD17B10MAPTALDH1A1ADAMTS4MEN1

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 MKNK1 3527/4885CHEK2 1019/4885MKNK2 2702/4885

“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.