SCHEMBL161227

SCHEMBL161227

O=C(NC1CCCC1)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.72
RAB9A P51151 9/20 0.72
SMN1; SMN2 Q16637 2/20 0.68
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68
PKM P14618 1/20 0.67
HPGD P15428 2/20 0.66
CYP1A2 P05177 1/20 0.66
CYP2C19 P33261 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.65
NPSR1 Q6W5P4 1/20 0.64
GRM5 P41594 1/20 0.60
KDM4E B2RXH2 2/20 0.60
GAA P10253 1/20 0.60
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
HTT P42858 1/20 0.59
SMYD3 Q9H7B4 1/20 0.58

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
SCHEMBL24673320 0.98 NPC1 (0.73) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL8396558 0.98 NPC1 (0.73) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL307051 0.98 NPC1 (0.73) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL23594174 0.98 NPC1 (0.73) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL5168314 0.98 NPC1 (0.73) NPC1RAB9ASMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL6928283 0.96 NPC1 (0.71) NPC1RAB9ASMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL3747209 0.96 NPC1 (0.71) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2316588 0.96 NPC1 (0.68) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4042448 0.94 NPC1 (0.66) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL124395 0.92 NPC1 (0.79) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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 168 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3324954-B1 AMINONAPTHOQUINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITION FOR BLOCKING UBIQUITINATION-PROTEASOME SYSTEM IN DISEASES CALGENT BIOTECHNOLOGY CO LTD (TW) 2022-03-09 EP claimed
EP-3612518-A1 SMALL MOLECULE INHIBITORS OF BCL-2-ASSOCIATED DEATH PROMOTER (BAD) PHOSPHORYLATION National University of Singapore (SG) 2020-02-26 EP claimed
WO-2018194520-A9 SMALL MOLECULE INHIBITORS OF BCL-2-ASSOCIATED DEATH PROMOTER (BAD) PHOSPHORYLATION NATIONAL UNIVERSITY OF SINGAPORE (SG) 2019-10-17 WO claimed
WO-2018194520-A1 SMALL MOLECULE INHIBITORS OF BCL-2-ASSOCIATED DEATH PROMOTER (BAD) PHOSPHORYLATION NATIONAL UNIVERSITY OF SINGAPORE (SG) 2018-10-25 WO claimed
EP-1768960-A1 SULFONAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-04-04 EP claimed
CN-1867572-A proteasome inhibitors and methods of use thereof CEPHALON INC (US) 2006-11-22 CN claimed
WO-2006005486-A1 SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-01-19 WO claimed
US-12336981-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2025-06-24 US disclosed
WO-2024261504-A1 BENZOFURAN-3-CARBOXYLIC ACID AMIDES AND BENZOFURAN-3- CARBONYL-BENZAMIDES, METHOD FOR THEIR PRODUCTION WITH HIGH SELECTIVITY, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PÉCSI TUDOMÁNYEGYETEM (HU) 2024-12-26 WO disclosed
CN-117466799-B N-substituted phthalic acid diamide preparation method of imine compound 西北师范大学 2024-12-24 CN disclosed
CN-117466799-A Preparation method of N-substituted phthalimide compound 西北师范大学 2024-01-30 CN disclosed
CN-117105963-A Preparation method for synthesizing aryl silicon compound by iron-catalyzed aryl ether carbon-oxygen bond cleavage and chlorosilane reaction 西北工业大学 2023-11-24 CN disclosed
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 US disclosed
WO-2006005486-A1 SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-01-19 WO disclosed
US-20050165003-A1 Treating Alzheimer's Disease; 4-Chloro-N-(4-hydroxy-3-methoxy-benzyl)-N-(2-oxo-azepan-3-yl)-benzenesulfonamide for example; gamma secretase inhibitors; inhibition of beta-amyloid synthesis with minimal inhibition of Notch Signaling ELAN PHARMACEUTICALS, INC. 2005-07-28 US disclosed
CN-1055920-C Alkyl benzoylguanidines derivatives MERCK PATENT GMBH (DE) 2000-08-30 CN disclosed
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
CN-1128753-A Alkyl benzoylguanidines derivatives MERCK PATENT GMBH (DE) 1996-08-14 CN disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
US-3879540-A Methods and cyclopentyl benzamide compositions for producing depressant activity UNIV TOLEDO 1975-04-22 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 (3 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-20050165003-A1 Treating Alzheimer's Disease; 4-Chloro-N-(4-hydroxy-3-methoxy-benzyl)-N-(2-oxo-azepan-3-yl)-benzenesulfonamide for example; gamma secretase inhibitors; inhibition of beta-amyloid synthesis with minimal inhibition of Notch Signaling BACE1, PSEN1, BACE2 NPC1 357/4885RAB9A 1351/4885SMN1; SMN2 3044/4885
US-12336981-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NNT NPC1 161/4885RAB9A 1657/4885SMN1; SMN2 962/4885
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 NPC1 123/4885RAB9A 1445/4885SMN1; SMN2 1497/4885

“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.