SCHEMBL17201425

SCHEMBL17201425

Clc1ccccc1COc1ccc(-c2ccon2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.44
MAOB P27338 3/20 0.43
MAOA P21397 1/20 0.43
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALKBH1 Q13686 1/20 0.40
ALOX5AP P20292 2/20 0.39
ALOX5 P09917 1/20 0.39
MAPT P10636 3/20 0.39
AR P10275 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
RAD52 P43351 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 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
SCHEMBL17201437 0.84 CYP1A2 (0.54) NR4A2MAOBMAOALMNAPOLB
SCHEMBL15774552 0.75 NR4A2 (0.52) NR4A2MAOBMAOAALKBH1ALOX5AP
SCHEMBL15774601 0.74 NR4A2 (0.45) NR4A2MAOBMAOAALKBH1ALOX5AP
SCHEMBL15774570 0.73 MAOB (0.54) NR4A2MAOBMAOALMNAPOLB
SCHEMBL488833 0.73 INPPL1 (0.48) NR4A2MAOBMAOAALKBH1ALOX5AP
SCHEMBL7170719 0.73 NR4A2 (0.71) NR4A2MAOBMAOALMNAPOLB
SCHEMBL15774373 0.71 MAPT (0.47) NR4A2MAOBMAOALMNAPOLB
SCHEMBL15774371 0.70 NR4A2 (0.51) NR4A2MAOBMAOALMNAPOLB
SCHEMBL15774377 0.69 HPGD (0.56) NR4A2MAOBMAOALMNAPOLB
SCHEMBL15774374 0.69 HPGD (0.56) NR4A2MAOBMAOALMNAPOLB

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 NR4A2 3511/4885MAOB 3277/4885MAOA 3245/4885

“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.