SCHEMBL348410

SCHEMBL348410

O=C(NCC1CCC1)Nc1ccc(C(=O)N2CCNCC2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FASN P49327 6/20 0.52
KMT2A Q03164 3/20 0.44
EPHX2 P34913 8/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
PTK6 Q13882 1/20 0.42
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL346223 0.84 NPC1 (0.55) FASNKMT2AEPHX2MAPTPTK6
SCHEMBL1512353 0.78 EPHX2 (0.43) FASNEPHX2PTK6
SCHEMBL348757 0.78 EPHX2 (0.58) FASNEPHX2POLB
SCHEMBL1829695 0.77 SIGMAR1 (0.50) KMT2APTK6POLBMEN1
SCHEMBL1512744 0.77 FASN (0.42) FASNKMT2AEPHX2PTK6MEN1
SCHEMBL1019694 0.75 HTT (0.44) KMT2ATP53MAPTMEN1
SCHEMBL13663414 0.75 HTT (0.46) KMT2AEPHX2TP53MAPTMEN1
SCHEMBL1512820 0.74 RORC (0.49) KMT2AEPHX2TP53MAPTMEN1
Hydrochloric Acid SCHEMBL1019156 0.74 KMT2A (0.47) KMT2AEPHX2TP53MAPTMEN1
SCHEMBL12954855 0.72 FAAH (0.50) TP53MAPT

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 6 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
CN-102131781-A 1-(4-ureidobenzoyl)piperazine derivatives ORGANON NV 2011-07-20 CN disclosed
EP-2318368-A1 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES N.V. Organon (NL) 2011-05-11 EP disclosed
WO-2010025179-A1 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES N.V. ORGANON (NL) 2010-03-04 WO 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-20120015958-A1 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES NPC1, ABCB11, NPC1L1 FASN 1591/4885KMT2A 4136/4885EPHX2 1501/4885

“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.