SCHEMBL20127876

SCHEMBL20127876

CCCCCCCCCCCCN/C(=N\C(=O)C(F)(F)F)NCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.51
HPGD P15428 1/20 0.47
NAAA Q02083 1/20 0.47
HDAC3 O15379 4/20 0.46
FAAH O00519 2/20 0.45
MLYCD O95822 1/20 0.45
EPHX1 P07099 4/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
TLR2 O60603 1/20 0.45
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44

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
SCHEMBL20127883 0.81 EPHX2 (0.49) EPHX2HPGDNAAAHDAC3FAAH
SCHEMBL3403502 0.76 EPHX2 (0.69) EPHX2HPGDNAAAEPHX1ALDH1A1
SCHEMBL11035774 0.76 EPHX2 (0.69) EPHX2HPGDNAAAEPHX1ALDH1A1
SCHEMBL3420583 0.76 EPHX2 (0.69) EPHX2HPGDNAAAEPHX1ALDH1A1
SCHEMBL11260446 0.76 EPHX2 (0.69) EPHX2HPGDNAAAEPHX1ALDH1A1
SCHEMBL9515447 0.74 EPHX2 (0.72) EPHX2HPGDNAAAHDAC3FAAH
SCHEMBL4985255 0.74 EPHX2 (0.71) EPHX2HPGDNAAAEPHX1ALDH1A1
SCHEMBL4971236 0.70 EPHX2 (0.57) EPHX2HPGDNAAAHDAC3FAAH
SCHEMBL11234863 0.70 ALOX12 (0.65) EPHX2HPGDALDH1A1
SCHEMBL20127881 0.70 EPHX2 (0.56) EPHX2HPGDNAAAHDAC3FAAH

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-20180127358-A1 ANTI-INFLAMMATORY DRUG AND USES THEREOF KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2018-05-10 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-20180127358-A1 ANTI-INFLAMMATORY DRUG AND USES THEREOF CDK2, CCNT2, CCNE2 EPHX2 1163/4885HPGD 139/4885NAAA 3611/4885

“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.