SCHEMBL3753269

SCHEMBL3753269

NC(=O)c1c(C(F)(F)F)cc(-c2cccc(F)c2F)nc1Oc1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 3/20 0.39
SCN9A Q15858 5/20 0.38
RORC P51449 5/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
RORA P35398 1/20 0.36
RORB Q92753 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
SQOR Q9Y6N5 1/20 0.36
MAPK8 P45983 1/20 0.36
CTSA P10619 1/20 0.35
MAP2 P11137 1/20 0.35

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
SCHEMBL3752748 0.91 CTSA (0.38) RORCCTSA
SCHEMBL3757232 0.83 ALDH1A1 (0.42) MAPK10SCN9AKDM4EALDH1A1HPGD
SCHEMBL3747394 0.82 KMO (0.39) RORCHPGDLMNACTSA
SCHEMBL3749684 0.82 ALDH1A1 (0.41) MAPK10SCN9ARORCKDM4EALDH1A1
SCHEMBL3747109 0.81 KDM4E (0.40) MAPK10SCN9ARORCKDM4EALDH1A1
SCHEMBL8202544 0.79 ALDH1A1 (0.35) SCN9ARORCALDH1A1HPGDLMNA
SCHEMBL3752343 0.79 GPBAR1 (0.36) MAPK10SCN9ARORCKDM4EALDH1A1
SCHEMBL3755130 0.74 KMO (0.44) KDM4EALDH1A1HPGDCTSA
SCHEMBL3754265 0.73 ALDH1A1 (0.42) RORCKDM4EALDH1A1HPGDRORB
SCHEMBL3752534 0.72 ALDH1A1 (0.41) SCN9AALDH1A1CTSA

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 MAPK10 1123/4885SCN9A 2416/4885RORC 3288/4885

“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.