SCHEMBL17201435

SCHEMBL17201435

N#Cc1ccccc1OCc1ccc(-c2ccon2)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
XDH P47989 4/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL15774555 0.80 HPGD (0.49) NPC1RAB9ACYP1A2CYP2D6CYP19A1
SCHEMBL17201428 0.80 APP (0.54) NPC1RAB9ACYP1A2CYP2D6CYP19A1
SCHEMBL17201419 0.80 CYP1A2 (0.43) NPC1RAB9ACYP1A2CYP2D6CYP19A1
SCHEMBL15774623 0.78 RXRA (0.53) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL17201424 0.78 CYP1A2 (0.48) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL15774688 0.78 RXRA (0.53) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL17201426 0.77 CYP1A2 (0.50) XDHNPC1RAB9ACYP1A2CYP2D6
SCHEMBL15774562 0.77 CYP1A2 (0.44) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL15774366 0.76 XDH (0.53) XDH
SCHEMBL15774617 0.76 XDH (0.47) XDHNPC1RAB9A

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-9296711-B2 Substituted isoxazole amide compounds as inhibitors of stearoyl-CoA desaturase 1 (SCD1) HOFFMAN-LA ROCHE INC. (US) 2016-03-29 US disclosed
US-20150307463-A1 SUBSTITUTED ISOXAZOLE AMIDE COMPOUNDS AS INHIBITORS OF STEAROYL-COA DESATURASE 1 (SCD1) HOFFMANN-LA ROCHE INC. 2015-10-29 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-20150307463-A1 SUBSTITUTED ISOXAZOLE AMIDE COMPOUNDS AS INHIBITORS OF STEAROYL-COA DESATURASE 1 (SCD1) SCD, SCD5, CPT1A XDH 1083/4885NPC1 317/4885RAB9A 3768/4885

“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.