SCHEMBL3341309

SCHEMBL3341309

COC(=O)c1cnc(-c2ccc(C)c(F)c2)cc1Oc1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.42
KMO O15229 2/20 0.41
SLC6A3 Q01959 4/20 0.39
SLC6A4 P31645 3/20 0.39
CTSA P10619 1/20 0.39
SCN9A Q15858 4/20 0.38
TP53 P04637 1/20 0.38
SCN5A Q14524 2/20 0.37
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
KCNE1 P15382 1/20 0.37
KCNQ1 P51787 1/20 0.37
KCNQ5 Q9NR82 1/20 0.37
IDO1 P14902 1/20 0.37
LDHA P00338 1/20 0.37
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SENP8 Q96LD8 1/20 0.37

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
SCHEMBL3342587 0.90 KMO (0.47) CHRNA7KMOSCN9AIDO1LDHA
SCHEMBL3341300 0.89 KMO (0.40) CHRNA7KMOSLC6A3SCN9ASCN5A
SCHEMBL3341278 0.89 SCN9A (0.43) CHRNA7KMOSLC6A3SCN9ASCN5A
SCHEMBL3341930 0.87 SCN8A (0.41) KMOSCN9ASCN5A
SCHEMBL3345623 0.87 SCN9A (0.41) KMOSCN9ASCN5A
SCHEMBL3340037 0.85 FFAR4 (0.41) KMOSCN9ASCN5A
SCHEMBL3342506 0.84 KMO (0.48) CHRNA7KMOSLC6A3SLC6A4SCN9A
SCHEMBL3342567 0.81 ALPL (0.46) KMOSLC6A3SLC6A4CTSASCN9A
SCHEMBL3342554 0.81 TP53 (0.44) KMOTP53NPC1RAB9ASMN1; SMN2
SCHEMBL3343333 0.80 SCN9A (0.41) KMOSLC6A3SLC6A4SCN9ANPC1

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 CHRNA7 397/4885KMO 1885/4885SLC6A3 1602/4885

“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.