SCHEMBL3791745

SCHEMBL3791745

NCc1cccc(-c2cccc(CN)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.60
PNMT P11086 1/20 0.58
ENPP2 Q13822 1/20 0.58
TAAR1 Q96RJ0 3/20 0.56
HRH3 Q9Y5N1 1/20 0.52
CFD P00746 3/20 0.51
CDK8 P49336 1/20 0.51
AGXT P21549 1/20 0.50
NOS1 P29475 3/20 0.49
NOS2 P35228 3/20 0.49
NOS3 P29474 2/20 0.49
PRMT6 Q96LA8 1/20 0.47
CSNK2A1 P68400 1/20 0.47
FGFR1 P11362 1/20 0.46
FGFR2 P21802 1/20 0.46
FGFR3 P22607 1/20 0.46
PLG P00747 1/20 0.46
PLAU P00749 1/20 0.46
F11 P03951 1/20 0.46
KLKB1 P03952 1/20 0.46

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
SCHEMBL43554 0.93 TAAR1 (0.70) LOXL2PNMTENPP2TAAR1HRH3
SCHEMBL3794460 0.93 TAAR1 (0.70) LOXL2PNMTENPP2TAAR1HRH3
SCHEMBL29400616 0.93 TAAR1 (0.70) LOXL2PNMTENPP2TAAR1HRH3
SCHEMBL28247640 0.91 TAAR1 (0.74) LOXL2PNMTENPP2TAAR1HRH3
Hydrochloric Acid SCHEMBL1237399 0.91 TAAR1 (0.67) LOXL2PNMTENPP2TAAR1HRH3
SCHEMBL27799749 0.91 TAAR1 (0.67) LOXL2PNMTENPP2TAAR1HRH3
Hydrochloric Acid SCHEMBL29793666 0.91 TAAR1 (0.67) LOXL2PNMTENPP2TAAR1HRH3
Bromide SCHEMBL1856525 0.91 TAAR1 (0.67) LOXL2PNMTENPP2TAAR1HRH3
SCHEMBL18822261 0.89 BCL2 (0.53) LOXL2PNMTENPP2TAAR1CFD
SCHEMBL3790473 0.89 MAOA (0.58) LOXL2PNMTENPP2TAAR1NOS1

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 LOXL2 1544/4885PNMT 709/4885ENPP2 1920/4885

“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.