SCHEMBL3786909

SCHEMBL3786909

CC(=O)c1c(N)cccc1-c1cccc(N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.44
MAOA P21397 1/20 0.41
ALDH1A1 P00352 3/20 0.41
BRD4 O60885 2/20 0.41
MAPT P10636 4/20 0.41
KDM4E B2RXH2 2/20 0.41
MCL1 Q07820 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FYN P06241 1/20 0.38
MAOB P27338 1/20 0.38
THRB P10828 1/20 0.37
CYP17A1 P05093 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 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
SCHEMBL3784550 0.85 MAP4K4 (0.49) MAP4K4MAOAALDH1A1BRD4MAPT
SCHEMBL3787580 0.84 HSD17B10 (0.52) ALDH1A1BRD4MAPTKDM4ELMNA
SCHEMBL3789904 0.83 THRB (0.39) ALDH1A1BRD4MAPTKDM4ELMNA
SCHEMBL3790555 0.78 ALDH1A1 (0.54) ALDH1A1BRD4MAPTKDM4ELMNA
SCHEMBL3784759 0.78 ALOX5AP (0.49) MAP4K4MAOAALDH1A1BRD4MAPT
SCHEMBL3785680 0.77 MCL1 (0.44) MAP4K4MAOAALDH1A1BRD4MAPT
SCHEMBL29249187 0.77 MCL1 (0.47) MAP4K4MAOAALDH1A1BRD4MAPT
SCHEMBL3789558 0.76 BACE1 (0.45) MAP4K4MAOAALDH1A1BRD4MAPT
SCHEMBL3785723 0.75 PRKCI (0.46) MAP4K4MAOAALDH1A1BRD4MAPT
SCHEMBL3785416 0.75 FYN (0.45) MAOAALDH1A1BRD4MAPTKDM4E

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 MAP4K4 3704/4885MAOA 348/4885ALDH1A1 4339/4885

“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.