SCHEMBL13638255

SCHEMBL13638255

NOCc1cccc(-c2ccc(CO)cc2Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AGXT P21549 8/20 0.51
▸ IDO1 P14902 10/20 0.50
▸ CSNK2A1 P68400 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ FFAR1 O14842 3/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ XBP1 P17861 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MRGPRX4 Q96LA9 1/20 0.43

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
SCHEMBL27894604 0.78 CYP2A6 (0.57) CSNK2A1FFAR1
SCHEMBL3900981 0.78 CSNK2A1 (0.70) CSNK2A1NPC1TP53MAPTXBP1
SCHEMBL1715589 0.75 AGXT (0.51) AGXTIDO1
SCHEMBL4080073 0.74 CSNK2A1 (0.49) CSNK2A1NPC1TP53MAPTXBP1
SCHEMBL6058567 0.73 ESR1 (0.50) CSNK2A1
SCHEMBL4071488 0.72 CSNK2A1 (0.46) CSNK2A1CYP3A4HSD17B10MRGPRX4
SCHEMBL6058977 0.71 GSTP1 (0.57) CSNK2A1FFAR1NPC1TP53MAPT
SCHEMBL1521149 0.70 AGXT (0.73) AGXTIDO1CYP3A4
SCHEMBL358974 0.70 PRKCI (0.44) CYP3A4SMN1; SMN2HSD17B10MRGPRX4
Hydrochloric Acid SCHEMBL14686234 0.69 AGXT (0.71) AGXTIDO1CYP3A4

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-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 — — US disclosed
US-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof PFIZER INC. 2008-07-10 — — US 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-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof OPRD1, OPRK1, OPRL1 AGXT 4169/4885IDO1 480/4885CSNK2A1 298/4885

“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.

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