SCHEMBL348333

SCHEMBL348333

CC(C)(C)NC(=O)c1csc(CN2CCN(C(=O)c3ccc(NC(=O)NCC4CC4)c(F)c3)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.41
MAPT P10636 1/20 0.41
GSK3B P49841 2/20 0.39
KMT2A Q03164 2/20 0.39
EPHX2 P34913 4/20 0.39
MEN1 O00255 1/20 0.39
MAP3K7 O43318 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ACKR3 P25106 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
FASN P49327 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 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
SCHEMBL13458584 0.90 HRH3 (0.42) TP53MAPTGSK3BKMT2AEPHX2
SCHEMBL348098 0.86 KMT2A (0.42) TP53MAPTKMT2AEPHX2MEN1
SCHEMBL369419 0.85 MAP3K7 (0.37) KMT2AEPHX2MAP3K7SMN1; SMN2ALDH1A1
SCHEMBL348680 0.82 ALDH1A1 (0.42) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL1020415 0.82 HTT (0.46) TP53MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL347867 0.82 TP53 (0.43) TP53MAPTGSK3BKMT2AEPHX2
SCHEMBL1019694 0.79 HTT (0.44) TP53MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL369418 0.78 PRKAA2 (0.38) KMT2ASMN1; SMN2ALDH1A1ACKR3HRH3
SCHEMBL1019054 0.77 HTT (0.44) TP53MAPTKMT2AEPHX2MEN1
Hydrochloric Acid SCHEMBL3690436 0.76 HTT (0.43) TP53MAPTKMT2AEPHX2MEN1

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 5 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

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 TP53 4394/4885MAPT 2600/4885GSK3B 3840/4885

“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.