SCHEMBL12563571

SCHEMBL12563571

Cc1c(F)cc(CNC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1F

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.61
CYP2C19 P33261 1/20 0.61
HPGD P15428 4/20 0.56
KDM4E B2RXH2 4/20 0.56
KMT2A Q03164 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 2/20 0.53
HSD17B10 Q99714 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
SLC9A1 P19634 1/20 0.51
LMNA P02545 1/20 0.48
CACNA1G O43497 1/20 0.48
CACNA1B Q00975 1/20 0.48
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL12563554 0.95 CYP1A2 (0.58) CYP1A2CYP2C19HPGDKDM4EKMT2A
SCHEMBL12563574 0.94 CYP1A2 (0.57) CYP1A2CYP2C19HPGDKDM4EKMT2A
SCHEMBL12563583 0.91 CYP1A2 (0.60) CYP1A2CYP2C19HPGDKDM4EKMT2A
SCHEMBL12563560 0.91 CYP1A2 (0.53) CYP1A2CYP2C19HPGDKDM4EKMT2A
SCHEMBL12563590 0.91 CYP1A2 (0.53) CYP1A2CYP2C19HPGDKDM4EKMT2A
SCHEMBL12563561 0.91 CYP1A2 (0.53) CYP1A2CYP2C19HPGDKDM4EKMT2A
SCHEMBL1988379 0.86 CYP1A2 (0.55) CYP1A2CYP2C19HPGDKDM4EKMT2A
SCHEMBL12563573 0.86 CYP1A2 (0.62) CYP1A2CYP2C19HPGDKDM4EKMT2A
SCHEMBL1989893 0.86 CYP1A2 (0.52) CYP1A2CYP2C19HPGDKDM4EKMT2A
SCHEMBL12605047 0.85 CYP1A2 (0.52) CYP1A2CYP2C19HPGDKDM4EKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152318-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2011-06-23 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-20110152318-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, TRPV2 CYP1A2 1432/4885CYP2C19 644/4885HPGD 729/4885

“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.