SCHEMBL3789553

SCHEMBL3789553

NC[CH]Cc1ccccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.58
TAAR1 Q96RJ0 6/20 0.54
IDO1 P14902 5/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
DPP4 P27487 1/20 0.45
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PKM P14618 1/20 0.44
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
AOC3 Q16853 1/20 0.41
MAOB P27338 1/20 0.41
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40

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
SCHEMBL9427683 0.79 TAAR1 (0.61) PNMTTAAR1IDO1CYP1A2CYP3A4
SCHEMBL15067459 0.78 IDO1 (0.46) PNMTTAAR1IDO1CYP3A4CYP2D6
SCHEMBL4997086 0.75 IDO1 (0.50) IDO1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL575127 0.75 IDO1 (0.52) PNMTTAAR1IDO1CYP1A2CYP3A4
SCHEMBL16168614 0.75 IDO1 (0.52) PNMTTAAR1IDO1CYP1A2CYP3A4
SCHEMBL248653 0.74 TAAR1 (0.54) PNMTTAAR1IDO1CYP1A2CYP3A4
SCHEMBL11457798 0.74 TAAR1 (0.54) PNMTTAAR1IDO1CYP1A2CYP3A4
SCHEMBL9299 0.74
SCHEMBL168712 0.73 IDO1 (0.50) PNMTTAAR1IDO1CYP3A4CYP2D6
SCHEMBL29473927 0.73 IDO1 (0.50) PNMTTAAR1IDO1LMNAHTT

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 PNMT 709/4885TAAR1 1746/4885IDO1 310/4885

“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.