SCHEMBL3752610

SCHEMBL3752610

Cc1ccc(Cl)cc1Oc1nc(-c2cccc(F)c2F)ccc1C=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 5/20 0.38
PDE10A Q9Y233 5/20 0.38
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
PDCD1LG2 Q9BQ51 3/20 0.35
CD274 Q9NZQ7 3/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
SCN9A Q15858 4/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPRT1 P00492 1/20 0.34
CHEK2 O96017 1/20 0.33
AR P10275 1/20 0.33
ERN1 O75460 1/20 0.33
PTGER1 P34995 1/20 0.32

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
SCHEMBL3753273 0.85 CTSA (0.37) PDE2APDE10AKDM4EMEN1ALDH1A1
SCHEMBL3757999 0.84 PPARG (0.35) PDE2APDE10AKDM4EALDH1A1PDCD1LG2
SCHEMBL3752148 0.83 ALDH1A1 (0.36) PDE2APDE10AMEN1ALDH1A1HPGD
SCHEMBL3752299 0.82 ERN1 (0.36) PDE2APDE10APDCD1LG2CD274ERN1
SCHEMBL3749589 0.82 PDCD1LG2 (0.35) PDE2APDE10AALDH1A1PDCD1LG2CD274
SCHEMBL3754215 0.82 KDM4E (0.40) KDM4EALDH1A1HPGDSCN9APTGER1
SCHEMBL3751743 0.82 CD274 (0.37) PDE10AALDH1A1HPGDPDCD1LG2CD274
SCHEMBL3747290 0.79 ALDH1A1 (0.40) PDE2APDE10AKDM4EMEN1ALDH1A1
SCHEMBL3745420 0.79 ALDH1A1 (0.38) PDE2APDE10AKDM4EMEN1ALDH1A1
SCHEMBL3754331 0.79 ERN1 (0.42) ALDH1A1PDCD1LG2CD274LMNAERN1

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-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

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 PDE2A 1036/4885PDE10A 1701/4885KDM4E 1949/4885

“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.