SCHEMBL3787835

SCHEMBL3787835

Nc1ccc(-c2cc(N)cc(F)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.59
CYP3A4 P08684 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
ALDH1A1 P00352 2/20 0.52
TP53 P04637 2/20 0.52
MAP4K4 O95819 3/20 0.50
HSD17B10 Q99714 2/20 0.44
KIF11 P52732 2/20 0.44
LDHA P00338 1/20 0.41
BRD4 O60885 1/20 0.40
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
APP P05067 2/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 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
SCHEMBL2320384 0.90 TAAR1 (0.64) TAAR1CYP3A4TDP1ALDH1A1TP53
SCHEMBL1100010 0.87 MAP4K4 (0.48) TAAR1CYP3A4TDP1ALDH1A1TP53
SCHEMBL31432876 0.84 MAOA (0.54) TAAR1CYP3A4TDP1ALDH1A1MAP4K4
SCHEMBL3785980 0.84 MAOA (0.54) TAAR1CYP3A4TDP1ALDH1A1MAP4K4
SCHEMBL3644396 0.82 CYP3A4 (0.69) TAAR1CYP3A4TDP1ALDH1A1TP53
SCHEMBL16910639 0.82 CYP3A4 (0.69) TAAR1CYP3A4TDP1ALDH1A1TP53
SCHEMBL20615544 0.80 TAAR1 (0.46) TAAR1CYP3A4TDP1ALDH1A1TP53
SCHEMBL3785263 0.77 MAOA (0.58) TAAR1CYP3A4MAP4K4BRD4MEN1
SCHEMBL23910015 0.77 KIF11 (0.61) TAAR1CYP3A4TDP1ALDH1A1TP53
SCHEMBL125516 0.76 ALDH1A1 (0.69) TAAR1CYP3A4TDP1ALDH1A1TP53

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 TAAR1 1746/4885CYP3A4 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.