SCHEMBL1020119

SCHEMBL1020119

CC(C)(C)NC(=O)c1cccc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
POLB P06746 2/20 0.46
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
BLM P54132 1/20 0.43
ACKR3 P25106 2/20 0.42

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
SCHEMBL1018550 0.90 ALDH1A1 (0.48) ALDH1A1KDM4ELMNAL3MBTL1POLB
SCHEMBL1020775 0.88 ALDH1A1 (0.50) ALDH1A1KDM4ELMNAL3MBTL1POLB
SCHEMBL1020509 0.86 ACKR3 (0.45) ALDH1A1KDM4ELMNAL3MBTL1KMT2A
SCHEMBL1019016 0.86 SMN1; SMN2 (0.54) ALDH1A1KDM4ELMNAL3MBTL1POLB
SCHEMBL1018922 0.80 ACKR3 (0.46) ALDH1A1LMNAACKR3
SCHEMBL1019725 0.79 KDM4E (0.47) ALDH1A1KDM4ELMNAL3MBTL1KMT2A
SCHEMBL20569608 0.77 KMT2A (0.58) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL1019852 0.77 ALDH1A1 (0.52) ALDH1A1KDM4ELMNAL3MBTL1KMT2A
SCHEMBL1019241 0.77 KDM4E (0.45) ALDH1A1KDM4ELMNAL3MBTL1KMT2A
SCHEMBL1019245 0.77 KDM4E (0.45) ALDH1A1KDM4ELMNAL3MBTL1KMT2A

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-8314091-B2 N-benzyl,N'-arylcarbonylpiperazine derivatives MSD OSS B.V. (NL) 2012-11-20 US disclosed
EP-2190827-B1 N-BENZYL-N'-ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS ORGANON NV (NL) 2011-01-12 EP disclosed
EP-2190827-A1 N-BENZYL, N' -ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS N.V. Organon (NL) 2010-06-02 EP disclosed
US-20090264416-A1 N-BENZYL,N'-ARYLCARBONYLPIPERAZINE DERIVATIVES N.V. ORGANON AND PHARMACOPEIA, INC. 2009-10-22 US disclosed
WO-2009024550-A1 N-BENZYL, N' -ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS N.V. ORGANON (NL) 2009-02-26 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-20090264416-A1 N-BENZYL,N'-ARYLCARBONYLPIPERAZINE DERIVATIVES NPC1L1, NPC1, ABCB11 ALDH1A1 1749/4885KDM4E 3490/4885LMNA 1395/4885

“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.