SCHEMBL3781007

SCHEMBL3781007

Nc1ccc(-c2ccccc2N)cc1F

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 11/20 0.55
ALOX5AP P20292 7/20 0.55
ALDH1A1 P00352 3/20 0.52
HSD17B10 Q99714 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.48
DHFR P00374 1/20 0.45
BACE1 P56817 1/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
MAP4K4 O95819 1/20 0.39
PTPRC P08575 1/20 0.39
PTPN1 P18031 1/20 0.39

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
SCHEMBL21000574 0.89 FEN1 (0.53) FEN1ALOX5APALDH1A1BACE1PTPRC
SCHEMBL396633 0.88 FEN1 (0.55) FEN1ALOX5APALDH1A1HSD17B10L3MBTL1
SCHEMBL29647556 0.88 FEN1 (0.55) FEN1ALOX5APALDH1A1HSD17B10L3MBTL1
SCHEMBL21715763 0.83 ALDH1A1 (0.46) FEN1ALOX5APALDH1A1MAP4K4
SCHEMBL3787019 0.83 ALDH1A1 (0.52) FEN1ALOX5APALDH1A1HSD17B10L3MBTL1
SCHEMBL3904951 0.82 FEN1 (0.51) FEN1ALOX5APALDH1A1HSD17B10L3MBTL1
SCHEMBL5993403 0.82 ALOX5AP (0.56) FEN1ALOX5APALDH1A1BACE1
SCHEMBL977502 0.81 ALDH1A1 (0.54) FEN1ALOX5APALDH1A1HSD17B10L3MBTL1
SCHEMBL5556308 0.80 MEN1 (0.59) FEN1ALOX5APALDH1A1HSD17B10L3MBTL1
SCHEMBL18601376 0.80 KIF11 (0.59) FEN1ALOX5APALDH1A1HSD17B10BACE1

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 FEN1 2139/4885ALOX5AP 2385/4885ALDH1A1 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.