SCHEMBL3752148

SCHEMBL3752148

Cc1ccc(Cl)c(Oc2nc(-c3cccc(F)c3F)ccc2C=O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
SCN9A Q15858 2/20 0.34
PDCD1LG2 Q9BQ51 6/20 0.33
CD274 Q9NZQ7 6/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.33
SCN5A Q14524 1/20 0.33
GRM2 Q14416 1/20 0.32
EIF4E P06730 2/20 0.32
HPRT1 P00492 1/20 0.32
ERN1 O75460 2/20 0.32
PDE2A O00408 1/20 0.31
PDE10A Q9Y233 1/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL3757999 0.90 PPARG (0.35) ALDH1A1PDCD1LG2CD274GRM2ERN1
SCHEMBL3747290 0.88 ALDH1A1 (0.40) ALDH1A1PDCD1LG2CD274LMNAMEN1
SCHEMBL3749589 0.87 PDCD1LG2 (0.35) ALDH1A1PDCD1LG2CD274LMNAERN1
SCHEMBL3747206 0.87 ALK (0.38) SCN9ALMNAPDE2APDE10AHPGD
SCHEMBL3745420 0.83 ALDH1A1 (0.38) ALDH1A1PDCD1LG2CD274MEN1KMT2A
SCHEMBL3752610 0.83 PDE2A (0.38) ALDH1A1SCN9APDCD1LG2CD274LMNA
SCHEMBL3750445 0.82 EIF4E (0.43) ALDH1A1SCN9ACD274EIF4EHPGD
SCHEMBL3751743 0.82 CD274 (0.37) ALDH1A1PDCD1LG2CD274MAPTERN1
SCHEMBL3753273 0.81 CTSA (0.37) ALDH1A1PDCD1LG2CD274LMNAMEN1
SCHEMBL3747380 0.81 CBFB (0.35) SCN9AHPRT1PDE2ACYP11B1CYP11B2

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-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 US disclosed
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 US disclosed
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 US disclosed
WO-2008031501-A2 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF 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-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF NAPRT, PNPO, FABP3 ALDH1A1 1855/4885SCN9A 2416/4885PDCD1LG2 2842/4885

“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.