SCHEMBL348806

SCHEMBL348806

COC(=O)c1ccnc(CN2CCN(C(=O)c3ccc(NC(=O)NC4CCC4)c(F)c3)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
ACKR3 P25106 2/20 0.43
FASN P49327 2/20 0.43
NPC1 O15118 2/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
EPHX2 P34913 6/20 0.42
FGFR4 P22455 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CXCR3 P49682 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHX1 P07099 1/20 0.40

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
SCHEMBL348309 0.90 KDM5C (0.45) L3MBTL1ACKR3FASNNPC1POLB
SCHEMBL348308 0.89 ACKR3 (0.44) L3MBTL1ACKR3FASNNPC1POLB
SCHEMBL13458595 0.88 L3MBTL1 (0.42) L3MBTL1ACKR3FASNNPC1POLB
SCHEMBL347706 0.88 ACKR3 (0.43) L3MBTL1ACKR3FASNNPC1POLB
SCHEMBL347273 0.85 ALDH1A1 (0.43) L3MBTL1ACKR3FASNNPC1POLB
SCHEMBL347099 0.79 PRKAA2 (0.44) L3MBTL1ACKR3EPHX2
SCHEMBL347188 0.79 ALDH1A1 (0.44) L3MBTL1ACKR3FASNNPC1POLB
SCHEMBL347189 0.79 ALDH1A1 (0.46) L3MBTL1ACKR3NPC1POLBRAB9A
SCHEMBL348551 0.78 L3MBTL1 (0.41) L3MBTL1FASNNPC1POLBRAB9A
SCHEMBL346910 0.77 ALDH1A1 (0.41) L3MBTL1ACKR3NPC1POLBRAB9A

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 L3MBTL1 3842/4885ACKR3 1675/4885FASN 1591/4885
US-20110286969-A1 DEUTERATED COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS PEPD, PREP, ACE L3MBTL1 3990/4885ACKR3 1327/4885FASN 1655/4885

“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.