SCHEMBL3787019

SCHEMBL3787019

Nc1cc(-c2ccccc2N)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
HSD17B10 Q99714 2/20 0.52
FEN1 P39748 6/20 0.51
ALOX5AP P20292 5/20 0.51
BRD4 O60885 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
DHFR P00374 1/20 0.45
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ESR2 Q92731 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAP4K4 O95819 2/20 0.41
BACE1 P56817 1/20 0.41
CYP1A1 P04798 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 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
SCHEMBL396633 0.88 FEN1 (0.55) ALDH1A1HSD17B10FEN1ALOX5APBRD4
SCHEMBL29647556 0.88 FEN1 (0.55) ALDH1A1HSD17B10FEN1ALOX5APBRD4
SCHEMBL15250336 0.88 BACE1 (0.53) ALDH1A1HSD17B10FEN1ALOX5APBRD4
SCHEMBL3781007 0.83 FEN1 (0.55) ALDH1A1HSD17B10FEN1ALOX5APL3MBTL1
SCHEMBL397260 0.82 PTGS2 (0.58) ALDH1A1HSD17B10FEN1ALOX5APL3MBTL1
SCHEMBL19143970 0.82 ALOX5AP (0.52) HSD17B10FEN1ALOX5APBRD4LMNA
SCHEMBL31161110 0.82 PTGS2 (0.58) ALDH1A1HSD17B10FEN1ALOX5APL3MBTL1
SCHEMBL394650 0.82 ALOX5AP (0.48) ALDH1A1HSD17B10FEN1ALOX5APBRD4
SCHEMBL5556308 0.80 MEN1 (0.59) ALDH1A1HSD17B10FEN1ALOX5APL3MBTL1
SCHEMBL8181149 0.79 TDP1 (0.55) ALDH1A1HSD17B10BRD4LMNAMAPT

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 ALDH1A1 4339/4885HSD17B10 1100/4885FEN1 2139/4885

“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.