SCHEMBL17201426

SCHEMBL17201426

N#Cc1ccccc1COc1ccc(-c2ccon2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP19A1 P11511 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
FFAR1 O14842 2/20 0.48
MAOB P27338 2/20 0.44
ADAMTS4 O75173 1/20 0.43
MMP13 P45452 1/20 0.43
XDH P47989 1/20 0.42
ALKBH1 Q13686 1/20 0.42
KCNH2 Q12809 1/20 0.41
PLAU P00749 1/20 0.39
SPHK2 Q9NRA0 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TLR8 Q9NR97 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38

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
SCHEMBL17201432 0.81 CYP1A2 (0.58) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL17201440 0.80 CYP1A2 (0.54) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL17201429 0.80 CYP1A2 (0.54) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL17201437 0.80 CYP1A2 (0.54) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL17201439 0.80 CYP1A2 (0.54) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL17201417 0.78 CYP1A2 (0.55) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL15774561 0.78 MAOB (0.54) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL17201435 0.77 XDH (0.42) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL15774639 0.76 CYP1A2 (0.49) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL15774702 0.76 FFAR1 (0.56) FFAR1MAOBADAMTS4MMP13XDH

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 CYP1A2 368/4885CYP2D6 747/4885CYP19A1 224/4885

“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.