SCHEMBL3753486

SCHEMBL3753486

O=Cc1ccc(-c2cccc(OC(F)(F)F)c2)nc1Oc1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TRPV3 Q8NET8 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
GRM5 P41594 1/20 0.37
DYRK1A Q13627 4/20 0.37
SLC16A3 O15427 1/20 0.36
SLC16A1 P53985 1/20 0.36
MCTS1 Q9ULC4 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL3745406 0.85 KDM1A (0.42) XDHKDM4EMAPTHPGDCTSS
SCHEMBL3758235 0.82 DHODH (0.44) XDHKDM4EALDH1A1MAPTHPGD
SCHEMBL8218294 0.82 LMNA (0.46) KDM4EALDH1A1MAPTHPGDCYP1A2
SCHEMBL3745509 0.81 XDH (0.48) XDHTRPV3CTSSCTSKIRAK4
SCHEMBL3753774 0.81 RORB (0.40) CTSSCTSKCYP1A2
SCHEMBL3750086 0.79 KMT2A (0.44) MAPTHPGDCYP1A2CYP3A4CYP2C19
SCHEMBL3752590 0.78 KMO (0.38) KDM4EALDH1A1MAPTHPGDSCN9A
SCHEMBL3747547 0.78 MEN1 (0.40) KDM4EALDH1A1MAPTHPGDTRPV3
SCHEMBL3747380 0.76 CBFB (0.35) SCN9A
SCHEMBL3752847 0.75 ALDH1A1 (0.39) ALDH1A1MAPTHPGDCYP1A2CYP3A4

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 XDH 121/4885KDM4E 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.