SCHEMBL348418

SCHEMBL348418

Cc1ccn(C(=O)NC(C)(C)C)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.46
PLAU P00749 2/20 0.45
ELANE P08246 2/20 0.45
F2 P00734 1/20 0.41
KLKB1 P03952 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
P2RX4 Q99571 1/20 0.39
MAPT P10636 1/20 0.38
BCHE P06276 1/20 0.38
TSHR P16473 1/20 0.38
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL161438 0.82 P2RX4 (0.39) KDM4EL3MBTL1P2RX4BCHENPC1
SCHEMBL9507822 0.79 NOS1 (0.50) NOS1PLAUELANEF2KLKB1
SCHEMBL23368130 0.78 P2RX4 (0.36) KDM4EL3MBTL1P2RX4BCHENPC1
SCHEMBL348058 0.77 RAB9A (0.38) KDM4EL3MBTL1P2RX4BCHETSHR
SCHEMBL29296509 0.76 NOS1 (0.50) NOS1PLAUELANEF2KLKB1
SCHEMBL29356511 0.74 ALOX15 (0.44) NOS1PLAUELANEF2KLKB1
SCHEMBL3008191 0.72
SCHEMBL12128371 0.72 PLAU (0.43) NOS1PLAUELANEF2KLKB1
SCHEMBL30171330 0.72 ASAH1 (0.44) NOS1PLAUELANEL3MBTL1
SCHEMBL12128384 0.72 PLAU (0.51) NOS1PLAUELANEF2KLKB1

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 7 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
US-8759352-B2 1-(4-ureidobenzoyl)piperazine derivatives MERCK SHARP & DOHME B.V. (NL) 2014-06-24 US disclosed
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-20120015958-A1 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES N.V. ORGANON (NL) 2012-01-19 US disclosed
US-20120015958-A1 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES N.V. ORGANON (NL) 2012-01-19 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-20120015958-A1 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES NPC1, ABCB11, NPC1L1 NOS1 873/4885PLAU 1931/4885ELANE 1886/4885

“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.