SCHEMBL3786455

SCHEMBL3786455

Nc1ccc(-c2cc(N)ccc2F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.53
CYP3A4 P08684 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
ALDH1A1 P00352 3/20 0.46
TP53 P04637 2/20 0.46
KIF11 P52732 2/20 0.44
TAAR1 Q96RJ0 2/20 0.43
BRD4 O60885 1/20 0.41
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
GLA P06280 2/20 0.37
GAA P10253 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
PRKCZ Q05513 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
SCHEMBL957251 0.91 MAP4K4 (0.50) MAP4K4CYP3A4TDP1ALDH1A1TP53
SCHEMBL12953155 0.87 MAP4K4 (0.47) MAP4K4CYP3A4ALDH1A1TP53KIF11
SCHEMBL3787110 0.86 MAOA (0.46) MAP4K4CYP3A4TDP1ALDH1A1TP53
SCHEMBL7556230 0.86 TAAR1 (0.50) MAP4K4CYP3A4TDP1ALDH1A1TP53
SCHEMBL9477795 0.85 CYP3A4 (0.50) MAP4K4CYP3A4TDP1ALDH1A1TP53
SCHEMBL2813076 0.85 BRD4 (0.50) MAP4K4CYP3A4TDP1ALDH1A1TP53
SCHEMBL2650106 0.83 IMPDH2 (0.49) MAP4K4ALDH1A1MEN1MAPTKMT2A
SCHEMBL2650216 0.82 MAP4K4 (0.44) MAP4K4KIF11GCGRMAPK14PDE3B
SCHEMBL9568314 0.82 TDP1 (0.52) MAP4K4CYP3A4TDP1ALDH1A1TP53
SCHEMBL28994545 0.81 MAP4K4 (0.43) MAP4K4CYP3A4TDP1ALDH1A1TP53

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 3704/4885CYP3A4 177/4885TDP1 4196/4885

“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.