SCHEMBL3757232

SCHEMBL3757232

NC(=O)c1c(C(F)(F)F)cc(-c2cc(F)cc(F)c2)nc1Oc1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
SQOR Q9Y6N5 1/20 0.40
SCN9A Q15858 3/20 0.39
RORB Q92753 1/20 0.37
CSNK1D P48730 1/20 0.37
CSNK1E P49674 1/20 0.37
MAPK10 P53779 2/20 0.36
MAPK8 P45983 1/20 0.35
CTSA P10619 1/20 0.35
AR P10275 1/20 0.35
ADRB2 P07550 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ACHE P22303 1/20 0.35
BLM P54132 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
SCHEMBL3754265 0.91 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDLMNATSHR
SCHEMBL3749684 0.88 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDLMNATSHR
SCHEMBL3753269 0.83 MAPK10 (0.39) ALDH1A1KDM4EHPGDLMNATSHR
SCHEMBL3752534 0.79 ALDH1A1 (0.41) ALDH1A1L3MBTL1SCN9ACTSA
SCHEMBL8210440 0.77 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDLMNATSHR
SCHEMBL3753285 0.77 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDLMNATSHR
SCHEMBL3752012 0.75 ALDH1A1 (0.43) ALDH1A1L3MBTL1
SCHEMBL3752748 0.73 CTSA (0.38) CTSA
SCHEMBL3747394 0.73 KMO (0.39) HPGDLMNACTSA
SCHEMBL8209904 0.72 ALDH1A1 (0.43) ALDH1A1L3MBTL1SCN9A

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 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.