SCHEMBL17201438

SCHEMBL17201438

Fc1cccc(COc2ccc(-c3ccon3)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 15/20 0.56
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP19A1 P11511 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NR4A2 P43354 1/20 0.51
PARP10 Q53GL7 1/20 0.50
ALOX5 P09917 1/20 0.48
ALOX5AP P20292 1/20 0.48
MAOA P21397 3/20 0.47

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
SCHEMBL15774727 0.85 MAOB (0.60) MAOBCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL17201427 0.84 DHFR (0.56) MAOBCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL17201421 0.83 CYP1A2 (0.52) MAOBCYP1A2CYP2D6CYP19A1CYP2C9
Carbamic Acid SCHEMBL28241903 0.80 CYP1A2 (0.47) MAOBCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL17201436 0.77 CYP1A2 (0.56) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL17201422 0.77 CYP1A2 (0.49) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL15774607 0.77 NR4A2 (0.62) MAOBNR4A2PARP10ALOX5ALOX5AP
SCHEMBL27521276 0.76 MAOB (0.77) MAOBNR4A2PARP10MAOA
SCHEMBL15774388 0.76 MAOB (0.62) MAOBNR4A2PARP10ALOX5ALOX5AP
Carbamic Acid SCHEMBL28241838 0.76 MAOB (0.51) MAOBCYP1A2CYP2D6CYP19A1CYP2C9

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 MAOB 3277/4885CYP1A2 368/4885CYP2D6 747/4885

“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.