SCHEMBL3786949

SCHEMBL3786949

Nc1cccc(-c2cccc(N)c2F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.50
MAOA P21397 1/20 0.48
CYP3A4 P08684 1/20 0.42
CASP1 P29466 1/20 0.42
RECQL P46063 1/20 0.42
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.40
HSD17B10 Q99714 1/20 0.40
PSIP1 O75475 1/20 0.40
AXL P30530 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
KIT P10721 2/20 0.39
MAPT P10636 3/20 0.39
BRD4 O60885 1/20 0.39
POLB P06746 1/20 0.39
HSP90AA1 P07900 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 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
SCHEMBL31607638 0.81 ALDH1A1 (0.62) MAP4K4MAOACYP3A4CASP1RECQL
SCHEMBL2442638 0.81 ALDH1A1 (0.62) MAP4K4MAOACYP3A4CASP1RECQL
SCHEMBL29636990 0.81 ALDH1A1 (0.62) MAP4K4MAOACYP3A4CASP1RECQL
SCHEMBL30839741 0.81 ALDH1A1 (0.62) MAP4K4MAOACYP3A4CASP1RECQL
SCHEMBL3785815 0.81 ALDH1A1 (0.62) MAP4K4MAOACYP3A4CASP1ALDH1A1
SCHEMBL8264668 0.81 HSD17B14 (0.51) MAP4K4MAOACYP3A4CASP1RECQL
SCHEMBL3788220 0.79 TAAR1 (0.45) MAP4K4CYP3A4ALDH1A1MEN1HSD17B10
SCHEMBL17595008 0.79 MAP4K4 (0.53) MAP4K4MAOACYP3A4CASP1RECQL
Water SCHEMBL2442366 0.79 ALDH1A1 (0.60) MAP4K4MAOACYP3A4CASP1RECQL
Ammonia Solution, Strong SCHEMBL21296246 0.79 ALDH1A1 (0.60) MAP4K4MAOACYP3A4CASP1RECQL

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 348/4885CYP3A4 177/4885

“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.