SCHEMBL3790376

SCHEMBL3790376

CC(=O)c1ccc(-c2ccc(N)cc2)c(N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.50
MAPT P10636 4/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
HSD17B1 P14061 3/20 0.47
CREBBP Q92793 1/20 0.46
S100A4 P26447 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
PKM P14618 1/20 0.40
HDAC2 Q92769 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP19A1 P11511 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CYP2A6 P11509 1/20 0.37

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
SCHEMBL31403418 0.93 HSD17B1 (0.54) PRKCIMAPTNPC1RAB9AHSD17B1
SCHEMBL6011398 0.89 HSD17B1 (0.51) PRKCIMAPTNPC1RAB9AHSD17B1
SCHEMBL11543599 0.86 ALDH1A1 (0.49) PRKCIMAPTNPC1RAB9AHSD17B1
SCHEMBL11540045 0.86 PTGS1 (0.51) PRKCIMAPTNPC1RAB9AHSD17B1
SCHEMBL3800105 0.86 MAPT (0.55) PRKCIMAPTNPC1RAB9AHSD17B1
SCHEMBL3787112 0.86 MAPT (0.49) PRKCIMAPTNPC1RAB9AHSD17B1
Hydrochloric Acid SCHEMBL9537225 0.84 MAPT (0.53) PRKCIMAPTNPC1RAB9AHSD17B1
SCHEMBL3790168 0.84 PARP10 (0.47) NPC1RAB9ASMN1; SMN2TDP1MKNK1
SCHEMBL8967952 0.84 KDM4E (0.49) MAPTNPC1RAB9ATDP1LMNA
SCHEMBL5147123 0.83 SYK (0.51) PRKCINPC1RAB9ACREBBPSMN1; SMN2

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 PRKCI 4454/4885MAPT 3312/4885NPC1 724/4885

“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.