SCHEMBL3341930

SCHEMBL3341930

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 2/20 0.41
SCN10A Q9Y5Y9 2/20 0.41
SCN9A Q15858 10/20 0.41
SCN5A Q14524 4/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39
KMO O15229 1/20 0.39
DHODH Q02127 1/20 0.38
SLC22A12 Q96S37 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
SCHEMBL3345623 0.92 SCN9A (0.41) SCN9ASCN5AKDM4ECYP1A2CYP2D6
SCHEMBL3340037 0.92 FFAR4 (0.41) SCN8ASCN10ASCN9ASCN5ACYP2C9
SCHEMBL3345443 0.91 KMO (0.44) SCN8ASCN10ASCN9ASCN5AKDM4E
SCHEMBL3341300 0.90 KMO (0.40) SCN9ASCN5AKMO
SCHEMBL3341309 0.87 CHRNA7 (0.42) SCN9ASCN5AKMO
SCHEMBL3341278 0.86 SCN9A (0.43) SCN9ASCN5AKMOSLC22A12
SCHEMBL3747199 0.83 SMN1; SMN2 (0.42) SCN8ASCN10ASCN9ASCN5AKDM4E
SCHEMBL3339524 0.83 KMO (0.44) SCN9ASCN5AKDM4EKMODHODH
SCHEMBL3345267 0.83 KMO (0.45) SCN8ASCN10ASCN5ACYP2C9KMO
SCHEMBL3342506 0.81 KMO (0.48) SCN9ASCN5AKMO

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 4 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
WO-2008031500-A1 4-PHENOXY-NICOTINE ACID DERIVATIVES AND USE THEREOF AS PPAR-MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-20 WO 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 SCN8A 2932/4885SCN10A 1616/4885SCN9A 2847/4885

“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.