SCHEMBL3341300

SCHEMBL3341300

COC(=O)c1cnc(-c2ccc(C)c(F)c2)cc1Oc1ccc(C)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMO O15229 3/20 0.40
SCN9A Q15858 11/20 0.38
SCN5A Q14524 4/20 0.38
SLC6A3 Q01959 1/20 0.38
CHRNA7 P36544 1/20 0.38
CYP46A1 Q9Y6A2 1/20 0.37
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
KCNE1 P15382 1/20 0.36
KCNQ1 P51787 1/20 0.36
KCNQ5 Q9NR82 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3341278 0.94 SCN9A (0.43) KMOSCN9ASCN5ASLC6A3CHRNA7
SCHEMBL3341930 0.90 SCN8A (0.41) KMOSCN9ASCN5A
SCHEMBL3340301 0.90 KMO (0.46) KMOSCN9ASCN5A
SCHEMBL3341309 0.89 CHRNA7 (0.42) KMOSCN9ASCN5ASLC6A3CHRNA7
SCHEMBL3340037 0.88 FFAR4 (0.41) KMOSCN9ASCN5A
SCHEMBL3345623 0.84 SCN9A (0.41) KMOSCN9ASCN5AMAPT
SCHEMBL3341691 0.84 KMO (0.46) KMOSCN9ACHRNA7NPC1RAB9A
SCHEMBL3342506 0.83 KMO (0.48) KMOSCN9ASCN5ASLC6A3CHRNA7
SCHEMBL3345443 0.81 KMO (0.44) KMOSCN9ASCN5A
SCHEMBL8217120 0.81 KMO (0.39) KMOSCN9ASCN5ASLC6A3CHRNA7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160386-A1 4-PHENOXY-NICOTINE ACID DERIVATIVES AND USE THEREOF AS PPAR-MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2010-06-24 US disclosed
US-20100160386-A1 4-PHENOXY-NICOTINE ACID DERIVATIVES AND USE THEREOF AS PPAR-MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2010-06-24 US disclosed
US-20100160386-A1 4-PHENOXY-NICOTINE ACID DERIVATIVES AND USE THEREOF AS PPAR-MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2010-06-24 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-20100160386-A1 4-PHENOXY-NICOTINE ACID DERIVATIVES AND USE THEREOF AS PPAR-MODULATORS PPARA, PPARD, PPARG KMO 1885/4885SCN9A 2847/4885SCN5A 645/4885

“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.