SCHEMBL3787112

SCHEMBL3787112

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
PRKCI P41743 1/20 0.46
HSD17B1 P14061 2/20 0.44
CREBBP Q92793 1/20 0.42
HDAC2 Q92769 2/20 0.42
S100A4 P26447 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
RELA Q04206 5/20 0.41
PKM P14618 1/20 0.40
CYP19A1 P11511 1/20 0.38
SYK P43405 1/20 0.38

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
SCHEMBL6571330 0.89 MAPT (0.49) MAPTNPC1RAB9APRKCIHSD17B1
Hydrochloric Acid SCHEMBL6574158 0.88 MAPT (0.47) MAPTNPC1RAB9APRKCIHSD17B1
SCHEMBL3788518 0.86 MAPT (0.55) MAPTNPC1RAB9APRKCICREBBP
SCHEMBL3790376 0.86 PRKCI (0.50) MAPTNPC1RAB9APRKCIHSD17B1
Hydrochloric Acid SCHEMBL27318044 0.84 MAPT (0.53) MAPTPRKCICREBBPHDAC2S100A4
SCHEMBL3786947 0.84 PARP10 (0.47) RELA
SCHEMBL27751282 0.83 SYK (0.54) NPC1HDAC2SMN1; SMN2RELASYK
SCHEMBL3785416 0.81 FYN (0.45) MAPTNPC1PRKCICREBBPHDAC2
SCHEMBL2787158 0.80 SYK (0.51) MAPTNPC1RAB9ACREBBPSYK
SCHEMBL6011398 0.79 HSD17B1 (0.51) MAPTNPC1RAB9APRKCIHSD17B1

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 MAPT 3312/4885NPC1 724/4885RAB9A 1357/4885

“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.