SCHEMBL347641

SCHEMBL347641

CC(C)CCNC(=O)Nc1ccc(C(=O)N2CCN(Cc3nc(C(=O)NC(C)(C)C)cs3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.42
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 2/20 0.39
NAMPT P43490 8/20 0.38
EPHX2 P34913 5/20 0.38
MEN1 O00255 1/20 0.37
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 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
SCHEMBL348445 0.83 KMT2A (0.43) HRH3ALDH1A1SMN1; SMN2KMT2AEPHX2
SCHEMBL348680 0.75 ALDH1A1 (0.42) HRH3ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL348333 0.74 TP53 (0.41) HRH3ALDH1A1SMN1; SMN2KMT2AEPHX2
SCHEMBL348679 0.74 HRH3 (0.47) HRH3ALDH1A1SMN1; SMN2KMT2AEPHX2
SCHEMBL347603 0.73 EPHX2 (0.39) ALDH1A1SMN1; SMN2EPHX2PRKAB2PRKAG1
SCHEMBL348818 0.71 ACKR3 (0.51) HRH3ALDH1A1
SCHEMBL369419 0.70 MAP3K7 (0.37) HRH3ALDH1A1SMN1; SMN2KMT2AEPHX2
SCHEMBL346976 0.69 BAZ2A (0.45) HRH3KMT2AMEN1
SCHEMBL369418 0.69 PRKAA2 (0.38) HRH3ALDH1A1SMN1; SMN2KMT2APRKAB2
SCHEMBL10077357 0.68 KMT2A (0.41) HRH3ALDH1A1SMN1; SMN2KMT2AEPHX2

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 3 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

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

“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.