SCHEMBL3789841

SCHEMBL3789841

Nc1ccc(-c2cc(F)ccc2N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.50
ALDH1A1 P00352 4/20 0.48
APP P05067 2/20 0.44
TDP1 Q9NUW8 4/20 0.42
CYP3A4 P08684 2/20 0.42
TP53 P04637 1/20 0.42
GCGR P47871 1/20 0.41
MAPK14 Q16539 1/20 0.41
KEAP1 Q14145 1/20 0.39
CCNE2 O96020 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
KIF11 P52732 2/20 0.37
TDO2 P48775 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RELA Q04206 2/20 0.36
HTT P42858 2/20 0.36
RAD51 Q06609 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL6557724 0.91 ALDH1A1 (0.52) TAAR1ALDH1A1TDP1CYP3A4MAPK14
SCHEMBL1578302 0.87 ALDH1A1 (0.43) TAAR1ALDH1A1APPTDP1CYP3A4
Hydrochloric Acid SCHEMBL6574181 0.85 ALDH1A1 (0.41) TAAR1ALDH1A1APPTDP1CYP3A4
SCHEMBL3793523 0.84 TAAR1 (0.52) TAAR1ALDH1A1APPTDP1CYP3A4
SCHEMBL3950704 0.83 ALDH1A1 (0.45) ALDH1A1TDP1CYP3A4TP53GCGR
SCHEMBL21087940 0.83 ALDH1A1 (0.45) TAAR1ALDH1A1APPTDP1CYP3A4
SCHEMBL15269267 0.83 ACHE (0.46) ALDH1A1TDP1CYP3A4TP53GCGR
SCHEMBL29492484 0.83 ALDH1A1 (0.54) TAAR1ALDH1A1KEAP1MAPTHSD17B10
SCHEMBL3793169 0.83 ALDH1A1 (0.54) TAAR1ALDH1A1KEAP1MAPTHSD17B10
SCHEMBL7556230 0.83 TAAR1 (0.50) TAAR1ALDH1A1APPTDP1CYP3A4

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 1746/4885ALDH1A1 4339/4885APP 2554/4885

“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.