SCHEMBL3749684

SCHEMBL3749684

Cc1ccc(-c2cc(C(F)(F)F)c(C(N)=O)c(Oc3ccccc3Cl)n2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
SCN9A Q15858 3/20 0.39
SQOR Q9Y6N5 1/20 0.38
CTSA P10619 1/20 0.37
TP53 P04637 1/20 0.36
KMO O15229 2/20 0.36
RORB Q92753 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
CHRNA7 P36544 1/20 0.35
RORC P51449 2/20 0.35
MAPK10 P53779 1/20 0.35
RORA P35398 1/20 0.34

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
SCHEMBL3752534 0.91 ALDH1A1 (0.41) ALDH1A1L3MBTL1SCN9ACTSATP53
SCHEMBL3757232 0.88 ALDH1A1 (0.42) ALDH1A1L3MBTL1KDM4EHPGDLMNA
SCHEMBL3749599 0.82 ALDH1A1 (0.44) ALDH1A1L3MBTL1KDM4EHPGDLMNA
SCHEMBL3753269 0.82 MAPK10 (0.39) ALDH1A1KDM4EHPGDLMNATSHR
SCHEMBL3754265 0.79 ALDH1A1 (0.42) ALDH1A1L3MBTL1KDM4EHPGDLMNA
SCHEMBL3745600 0.76 KMO (0.47) ALDH1A1SCN9ACTSAKMOMAPT
SCHEMBL830911 0.74 ALDH1A1 (0.47) ALDH1A1L3MBTL1KDM4EHPGDTSHR
SCHEMBL3752748 0.73 CTSA (0.38) CTSAKMORORC
SCHEMBL3752590 0.72 KMO (0.38) ALDH1A1KDM4EHPGDLMNASCN9A
SCHEMBL8073401 0.72 L3MBTL1 (0.43) ALDH1A1L3MBTL1KMO

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 1855/4885L3MBTL1 2518/4885KDM4E 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.