SCHEMBL3753285

SCHEMBL3753285

NC(=O)c1c(C(F)(F)F)cc(-c2cc(F)cc(F)c2)nc1Cl

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 4/20 0.44
HPGD P15428 3/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.39
CASP1 P29466 1/20 0.36
SCN9A Q15858 2/20 0.36
CSNK1E P49674 5/20 0.35
CSNK1D P48730 5/20 0.35
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ACHE P22303 2/20 0.34
HPGDS O60760 1/20 0.33
LIMK1 P53667 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
SCHEMBL3747590 0.87 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDLMNATSHR
SCHEMBL3749599 0.83 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDLMNATSHR
SCHEMBL831503 0.83 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDLMNATSHR
SCHEMBL13053995 0.81 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDLMNATSHR
SCHEMBL565623 0.77 POLB (0.46) ALDH1A1KDM4EHPGDLMNATSHR
SCHEMBL8210440 0.77 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDLMNATSHR
SCHEMBL3757232 0.77 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDLMNATSHR
SCHEMBL3747109 0.76 KDM4E (0.40) ALDH1A1KDM4EHPGDLMNATSHR
SCHEMBL8303575 0.75 POLB (0.65) ALDH1A1KDM4EHPGDLMNATSHR
SCHEMBL25148603 0.71 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDLMNATSHR

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 1855/4885KDM4E 1949/4885HPGD 347/4885

“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.