SCHEMBL368037

SCHEMBL368037

O=C(NCC1CC1)Nc1ccc(C(=O)N2CCN(Cc3ccc(C(=O)NC4CC(F)(F)C4)o3)CC2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.41
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.39
GSK3B P49841 3/20 0.38
FASN P49327 2/20 0.37
KCNH2 Q12809 1/20 0.37
MCHR1 Q99705 1/20 0.37
PRKAA2 P54646 3/20 0.36
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 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
SCHEMBL1020791 0.86 KDM1A (0.43) EPHX2KMT2ATP53MAPTMEN1
SCHEMBL348149 0.85 EPHX2 (0.45) EPHX2KMT2ATP53MAPTMEN1
SCHEMBL347867 0.85 TP53 (0.43) EPHX2KMT2ATP53MAPTMEN1
SCHEMBL347102 0.84 NPC1 (0.44) EPHX2KMT2AKCNH2MCHR1PRKAA2
SCHEMBL348833 0.83 HRH3 (0.40) EPHX2KMT2AFASNKCNH2MCHR1
SCHEMBL15310312 0.78 EPHX2 (0.44) EPHX2KMT2AMAPTMEN1KCNH2
SCHEMBL12955061 0.77 MCHR1 (0.43) KMT2ATP53MAPTMEN1MCHR1
SCHEMBL12954855 0.77 FAAH (0.50) TP53MAPTMCHR1PRKAA2
SCHEMBL348234 0.77 L3MBTL1 (0.42) EPHX2KMT2AFASNPRKAA2PRKAB2
SCHEMBL347913 0.76 TSHR (0.43) EPHX2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759352-B2 1-(4-ureidobenzoyl)piperazine derivatives MERCK SHARP & DOHME B.V. (NL) 2014-06-24 US disclosed
EP-2318368-B1 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES MERCK SHARP & DOHME (NL) 2013-10-16 EP disclosed
US-20120015958-A1 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES N.V. ORGANON (NL) 2012-01-19 US disclosed
US-20110286969-A1 DEUTERATED COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS SCHERING CORPORATION (US) 2011-11-24 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 (2 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-20120015958-A1 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES NPC1, ABCB11, NPC1L1 EPHX2 1501/4885KMT2A 4136/4885TP53 4394/4885
US-20110286969-A1 DEUTERATED COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS PEPD, PREP, ACE EPHX2 1554/4885KMT2A 2471/4885TP53 2528/4885

“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.