SCHEMBL13876201

SCHEMBL13876201

O=C(NCc1ccccc1OC(F)(F)F)c1cccc(-c2ccccc2OC(F)(F)F)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.70
ALDH1A1 P00352 2/20 0.70
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
KDM4E B2RXH2 1/20 0.57
LMNA P02545 1/20 0.57
APEX1 P27695 1/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
EPHX2 P34913 6/20 0.48
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
UGCG Q16739 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN10A Q9Y5Y9 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47

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
SCHEMBL13876689 0.86 ALDH1A1 (0.55) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL13876238 0.83 HPGD (0.54) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL13876224 0.81 ALDH1A1 (0.52) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL13876185 0.81 ALDH1A1 (0.49) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL13876205 0.79 EPHX2 (0.66) EPHX2HDAC3HDAC1HDAC2HDAC6
SCHEMBL29037128 0.78 MEN1 (0.52) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL3134600 0.78 SCN9A (0.56) SCN10A
SCHEMBL7014523 0.76 MEN1 (0.55) MEN1KMT2AEPHX2ADORA2AADORA1
SCHEMBL7014525 0.76 MEN1 (0.52) MEN1KMT2AKDM4ELMNAEPHX2
SCHEMBL5209564 0.74 EPHX2 (0.57) EPHX2ADORA2AADORA2BADORA1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099184-A1 Substituted pyridineamide compounds useful as soluble epoxide hydrolase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-16 US disclosed
US-20090099184-A1 Substituted pyridineamide compounds useful as soluble epoxide hydrolase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-16 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-20090099184-A1 Substituted pyridineamide compounds useful as soluble epoxide hydrolase inhibitors EPHX1, EPHX2, NCEH1 HPGD 14/4885ALDH1A1 310/4885MEN1 4518/4885

“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.