SCHEMBL348680

SCHEMBL348680

CC(C)(C)NC(=O)c1csc(CN2CCN(C(=O)c3ccc(N)c(F)c3)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
KMT2A Q03164 2/20 0.40
WNK1 Q9H4A3 1/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
ACKR3 P25106 2/20 0.36
CNR2 P34972 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.35
PRKAA2 P54646 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL369418 0.82 PRKAA2 (0.38) ALDH1A1SMN1; SMN2HRH3KMT2AACKR3
SCHEMBL348333 0.82 TP53 (0.41) ALDH1A1SMN1; SMN2HRH3KMT2AMAPT
SCHEMBL369419 0.82 MAP3K7 (0.37) ALDH1A1SMN1; SMN2HRH3KMT2AACKR3
SCHEMBL348679 0.78 HRH3 (0.47) ALDH1A1SMN1; SMN2HRH3KMT2AACKR3
SCHEMBL1020008 0.78 MEN1 (0.50) ALDH1A1SMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL348145 0.77 KDM4E (0.43) ALDH1A1SMN1; SMN2HRH3KDM4EGAA
SCHEMBL348445 0.75 KMT2A (0.43) ALDH1A1SMN1; SMN2HRH3KMT2AMAPT
SCHEMBL348818 0.75 ACKR3 (0.51) ALDH1A1HRH3ACKR3
SCHEMBL347641 0.75 HRH3 (0.42) ALDH1A1SMN1; SMN2HRH3KMT2AMEN1
SCHEMBL346976 0.73 BAZ2A (0.45) HRH3KMT2AMEN1L3MBTL1KDM4E

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
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
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 ALDH1A1 1156/4885SMN1; SMN2 4567/4885HRH3 1328/4885

“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.