SCHEMBL1020342

SCHEMBL1020342

CCOC(=O)c1cnc(C(=O)NN)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
POLB P06746 1/20 0.47
CYP1A2 P05177 1/20 0.47
NPC1 O15118 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.45
GABRP O00591 5/20 0.44
GABRD O14764 5/20 0.44
GABRA1 P14867 5/20 0.44
GABRB1 P18505 5/20 0.44
GABRG2 P18507 5/20 0.44
GABRB3 P28472 5/20 0.44
GABRA5 P31644 5/20 0.44
GABRA3 P34903 5/20 0.44
GABRA2 P47869 5/20 0.44
GABRB2 P47870 5/20 0.44
GABRA4 P48169 5/20 0.44
GABRE P78334 5/20 0.44
GABRA6 Q16445 5/20 0.44

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
SCHEMBL1019601 0.87 CYP1A2 (0.59) KDM4EPOLBCYP1A2NPC1SMN1; SMN2
SCHEMBL31377918 0.81 P2RX7 (0.52) KDM4EPOLBCYP1A2LMNAALDH1A1
SCHEMBL600789 0.81 GABRA1 (0.49) KDM4EPOLBCYP1A2NPC1SMN1; SMN2
SCHEMBL31285451 0.81 GABRA1 (0.49) KDM4EPOLBCYP1A2NPC1SMN1; SMN2
SCHEMBL1644521 0.80 POLB (0.70) POLBCYP1A2SMN1; SMN2KMT2ALMNA
SCHEMBL1644378 0.80 CYP1A2 (0.52) KDM4EPOLBCYP1A2NPC1SMN1; SMN2
SCHEMBL197360 0.79 CYP1A2 (0.50) KDM4EPOLBCYP1A2NPC1SMN1; SMN2
SCHEMBL1874036 0.78 NPC1 (0.54) KDM4EPOLBCYP1A2NPC1SMN1; SMN2
SCHEMBL30445565 0.78 POLB (0.46) KDM4EPOLBCYP1A2NPC1SMN1; SMN2
SCHEMBL12184767 0.78 POLB (0.46) KDM4EPOLBCYP1A2NPC1SMN1; SMN2

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 KDM4E 3490/4885POLB 2799/4885CYP1A2 58/4885

“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.