SCHEMBL1019474

SCHEMBL1019474

O=C(NC1CC(F)(F)C1)c1cccc(CCl)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.56
SMYD3 Q9H7B4 2/20 0.49
KMT2A Q03164 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MEN1 O00255 2/20 0.48
LMNA P02545 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
GRM5 P41594 2/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43

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
SCHEMBL31310223 0.85 KDM1A (0.55) KDM1ASMYD3KMT2AL3MBTL1MEN1
SCHEMBL1023353 0.82 L3MBTL1 (0.62) KDM1ASMYD3KMT2AL3MBTL1MEN1
SCHEMBL1021945 0.78 CHRM3 (0.53) KDM1AKMT2ASIGMAR1
SCHEMBL28197914 0.78 EZH2 (0.57) KDM1ASMYD3KMT2AL3MBTL1MEN1
SCHEMBL1017858 0.78 KMT2A (0.52) KDM1AKMT2AL3MBTL1MEN1LMNA
SCHEMBL31746215 0.75 SMN1; SMN2 (0.43) KDM1ALMNANPC1RAB9ASIGMAR1
Hydrochloric Acid SCHEMBL17002785 0.73 KDM1A (0.76) KDM1A
Hydrochloric Acid SCHEMBL17002782 0.73 KDM1A (0.76) KDM1A
SCHEMBL31310157 0.73 KDM1A (0.59) KDM1ASMYD3KMT2AL3MBTL1MEN1
SCHEMBL6842252 0.73 ALDH1A1 (0.59) SMYD3KMT2AL3MBTL1MEN1LMNA

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
CN-101848899-B As the N-benzyl of LXR conditioning agent, N '-aryl carbonyl bridged piperazine derivatives MERCK SHARP & DOHME B.V. (NL) 2016-03-02 CN disclosed
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
CN-101848899-A N-benzyl, n' -arylcarbonylpiperazine derivatives as lxr modulators ORGANON NV 2010-09-29 CN 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 KDM1A 4398/4885SMYD3 4588/4885KMT2A 4268/4885

“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.