SCHEMBL3758235

SCHEMBL3758235

O=C(O)c1ccc(-c2cccc(OC(F)(F)F)c2)nc1Oc1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SLC16A3 O15427 1/20 0.41
SLC16A1 P53985 1/20 0.41
MCTS1 Q9ULC4 1/20 0.41
KMO O15229 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
XDH P47989 1/20 0.40
EIF4E P06730 1/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
DYRK1A Q13627 1/20 0.40
TRPV3 Q8NET8 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL3759594 0.85 RORB (0.48) DHODHKDM4EALDH1A1MAPTKMO
SCHEMBL3752621 0.83 ALDH1A1 (0.54) KDM4EALDH1A1MAPTHPGD
SCHEMBL3753486 0.82 XDH (0.41) KDM4EALDH1A1MAPTHPGDL3MBTL1
SCHEMBL3753481 0.81 RORB (0.46) KMOEIF4E
SCHEMBL3751995 0.80 SCN9A (0.44) KDM4EALDH1A1MAPTHPGD
SCHEMBL3755086 0.79 SMN1; SMN2 (0.46) DHODHKDM4EALDH1A1MAPTHPGD
SCHEMBL13054024 0.78 ALDH1A1 (0.43) ALDH1A1MAPTKMOEIF4E
SCHEMBL3745600 0.78 KMO (0.47) DHODHALDH1A1MAPTKMO
SCHEMBL3759839 0.78 HPGDS (0.42) DHODHKDM4EALDH1A1MAPTHPGD
SCHEMBL3752101 0.78 SMN1; SMN2 (0.47) DHODHKDM4EALDH1A1MAPTHPGD

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 DHODH 1528/4885KDM4E 1949/4885ALDH1A1 1855/4885

“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.