SCHEMBL3464701

SCHEMBL3464701

CC(=O)CC(=O)c1ccc(Cl)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.56
RAB9A P51151 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
GRM4 Q14833 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
LMNA P02545 1/20 0.48
DGAT1 O75907 2/20 0.47
PKM P14618 2/20 0.47
NPC1 O15118 2/20 0.47
POLB P06746 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KCNQ3 O43525 1/20 0.45

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
Acetic Acid SCHEMBL28744937 0.86 NAPRT (0.58) NAPRTRAB9ASMN1; SMN2GRM4L3MBTL1
SCHEMBL28744934 0.82 NAPRT (0.49) NAPRTRAB9ASMN1; SMN2GRM4L3MBTL1
SCHEMBL1877325 0.81 NAPRT (0.60) NAPRTRAB9ASMN1; SMN2GRM4L3MBTL1
SCHEMBL30175321 0.81 NAPRT (0.60) NAPRTRAB9ASMN1; SMN2GRM4L3MBTL1
SCHEMBL6389786 0.81 NAPRT (0.60) NAPRTRAB9ASMN1; SMN2GRM4L3MBTL1
SCHEMBL1985578 0.81 NAPRT (0.64) NAPRTRAB9ASMN1; SMN2GRM4L3MBTL1
SCHEMBL10812902 0.80 HDAC1 (0.58) RAB9ASMN1; SMN2MAPTKMT2AALDH1A1
Hydrochloric Acid SCHEMBL9753763 0.80 NAPRT (0.58) NAPRTRAB9ASMN1; SMN2GRM4L3MBTL1
Hydrochloric Acid SCHEMBL12098974 0.80 NAPRT (0.58) NAPRTRAB9ASMN1; SMN2GRM4L3MBTL1
SCHEMBL6439911 0.79 NAPRT (0.62) NAPRTRAB9ASMN1; SMN2GRM4L3MBTL1

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
US-8742118-B2 Methods for preparing intermediates of perampanel F.I.S.—Fabbrica Italiana Sintetici S.p.A. (IT) 2014-06-03 US disclosed
US-20130109862-A1 METHODS FOR PREPARING INTERMEDIATES OF PERAMPANEL F.I.S. FABRICA ITALIANA SINTETICI S.p.A. (IT) 2013-05-02 US disclosed
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 US disclosed
US-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 US disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
US-20060106218-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2006-05-18 US disclosed
US-20050256130-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2005-11-17 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 (4 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-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 NAPRT 1662/4885RAB9A 4163/4885SMN1; SMN2 1026/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 NAPRT 1662/4885RAB9A 4163/4885SMN1; SMN2 1026/4885
US-20130109862-A1 METHODS FOR PREPARING INTERMEDIATES OF PERAMPANEL PDXK, AGPS, PNPO NAPRT 171/4885RAB9A 2788/4885SMN1; SMN2 1561/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 NAPRT 1662/4885RAB9A 4163/4885SMN1; SMN2 1026/4885

“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.