SCHEMBL5398653

SCHEMBL5398653

O/N=C1/CCCc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.92
HPGD P15428 3/20 0.92
LMNA P02545 2/20 0.52
HSD17B10 Q99714 1/20 0.52
G6PC1 P35575 1/20 0.51
ALDH1A1 P00352 4/20 0.51
CYP2A6 P11509 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
PLA2G1B P04054 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48

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
SCHEMBL395524 1.00 L3MBTL1 (0.92) L3MBTL1HPGDLMNAHSD17B10G6PC1
SCHEMBL30043171 1.00 L3MBTL1 (0.92) L3MBTL1HPGDLMNAHSD17B10G6PC1
SCHEMBL1204352 1.00 L3MBTL1 (0.92) L3MBTL1HPGDLMNAHSD17B10G6PC1
SCHEMBL29757867 1.00 L3MBTL1 (0.92) L3MBTL1HPGDLMNAHSD17B10G6PC1
SCHEMBL30528190 0.96 HPGD (1.00) L3MBTL1HPGDLMNAHSD17B10G6PC1
SCHEMBL2217555 0.96 HPGD (1.00) L3MBTL1HPGDLMNAHSD17B10G6PC1
SCHEMBL2217559 0.96 HPGD (1.00) L3MBTL1HPGDLMNAHSD17B10G6PC1
SCHEMBL17988339 0.94 HPGD (0.96) L3MBTL1HPGDLMNAHSD17B10G6PC1
Acetic Acid SCHEMBL28410022 0.89 L3MBTL1 (0.74) L3MBTL1HPGDLMNAG6PC1ALDH1A1
SCHEMBL2733083 0.87 HPGD (0.77) L3MBTL1HPGDLMNAHSD17B10ALDH1A1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159463-A1 BENZONITRIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI ZHONGZE THERAPEUTICS, CO. LTD. (CN) 2023-05-25 US disclosed
US-10011559-B2 Preparation of chiral amides and amines SUNOVION PHARMACEUTICALS INC. (US) 2018-07-03 US disclosed
US-20180016224-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. 2018-01-18 US disclosed
EP-2816024-B1 Chiral amines SUNOVION PHARMACEUTICALS INC (US) 2017-08-02 EP disclosed
EP-2701512-B1 ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2017-04-05 EP disclosed
US-20160016891-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. 2016-01-21 US disclosed
US-9073929-B2 Aldosterone synthase inhibitors ELEXOPHARM GMBH (DE) 2015-07-07 US disclosed
US-20140057990-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. (US) 2014-02-27 US disclosed
US-20140045819-A1 ALDOSTERONE SYNTHASE INHIBITORS ELEXOPHARM GMBH (DE) 2014-02-13 US disclosed
US-8524950-B2 Preparation of chiral amides and amines SUNOVION PHARMACEUTICALS INC. (US) 2013-09-03 US disclosed
US-20120095106-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. (US) 2012-04-19 US disclosed
US-7169773-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-01-30 US disclosed
US-7169773-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-01-30 US disclosed
US-7169773-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-01-30 US disclosed
US-20060003991-A1 Compounds SZEWCZYK JERZY R 2006-01-05 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 (8 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-10011559-B2 Preparation of chiral amides and amines PNMT, ALKBH5, ALKBH2 L3MBTL1 4178/4885HPGD 582/4885LMNA 1993/4885
US-20180016224-A1 PREPARATION OF CHIRAL AMIDES AND AMINES PNMT, ALKBH2, ALKBH5 L3MBTL1 4177/4885HPGD 630/4885LMNA 1904/4885
US-20160016891-A1 PREPARATION OF CHIRAL AMIDES AND AMINES PNMT, ALKBH5, ALKBH2 L3MBTL1 4178/4885HPGD 582/4885LMNA 1993/4885
US-20230159463-A1 BENZONITRIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF HDAC11, HDAC1, HDAC6 L3MBTL1 2681/4885HPGD 406/4885LMNA 2388/4885
US-20060003991-A1 Compounds SLC10A1, SLC10A2, ABCB11 L3MBTL1 4845/4885HPGD 817/4885LMNA 4142/4885
US-20120095106-A1 PREPARATION OF CHIRAL AMIDES AND AMINES PNMT, ALKBH5, ALKBH2 L3MBTL1 4178/4885HPGD 582/4885LMNA 1993/4885
US-20140057990-A1 PREPARATION OF CHIRAL AMIDES AND AMINES PNMT, ALKBH5, ALKBH2 L3MBTL1 4178/4885HPGD 582/4885LMNA 1993/4885
US-20140045819-A1 ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP17A1, HSD11B1 L3MBTL1 4693/4885HPGD 220/4885LMNA 2434/4885

“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.