SCHEMBL4131627

SCHEMBL4131627

O=C(O)NC1CCN(C(=O)C(F)(F)F)CC1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.59
EPHX2 P34913 10/20 0.56
KDM1A O60341 1/20 0.50
CYP2C19 P33261 1/20 0.43
PARP1 P09874 1/20 0.42
ALDH1A1 P00352 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
RIPK1 Q13546 1/20 0.37

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
SCHEMBL4634407 0.89 EPHX1 (0.49) EPHX1EPHX2KDM1ACYP2C19PARP1
SCHEMBL23490137 0.84 EPHX1 (0.57) EPHX1EPHX2KDM1ACYP2C19PARP1
SCHEMBL21784381 0.81 KDM1A (0.56) EPHX1EPHX2KDM1ACYP2C19PARP1
SCHEMBL18988157 0.80 ALDH1A1 (0.46) EPHX1EPHX2ALDH1A1
SCHEMBL11942148 0.79 EPHX1 (0.53) EPHX1EPHX2KDM1ACYP2C19PARP1
Trifluoroacetic Acid SCHEMBL4513278 0.79 EPHX1 (0.49) EPHX1EPHX2KDM1ACYP2C19PARP1
SCHEMBL2828768 0.77 EPHX1 (0.45) EPHX1EPHX2KDM1ACYP2C19PARP1
SCHEMBL17557633 0.77 EPHX2 (0.56) EPHX1EPHX2CNR1CNR2
SCHEMBL29191941 0.77 CTSK (0.52) EPHX1EPHX2PARP1
SCHEMBL17607236 0.77 EPHX1 (0.51) EPHX1EPHX2KDM1ACYP2C19PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2022793-B1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO LTD (JP) 2014-06-04 EP disclosed
US-8524738-B2 Quinolinones and quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2013-09-03 US disclosed
US-8367831-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-05 US disclosed
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-23 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
EP-2022793-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-02-11 EP 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 (3 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-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 EPHX1 4168/4885EPHX2 4672/4885KDM1A 2057/4885
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, H1-4 EPHX1 3858/4885EPHX2 1805/4885KDM1A 1344/4885
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, CXXC5 EPHX1 3603/4885EPHX2 1820/4885KDM1A 1314/4885

“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.