SCHEMBL2586534

SCHEMBL2586534

CC(=O)N1c2ccccc2CC1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 1.00
ALDH1A1 P00352 7/20 0.58
NPC1 O15118 2/20 0.58
PKM P14618 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
LMNA P02545 2/20 0.58
RAB9A P51151 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C19 P33261 1/20 0.58
SLC22A12 Q96S37 1/20 0.57
MEN1 O00255 1/20 0.57
MAPT P10636 1/20 0.57
KMT2A Q03164 1/20 0.57
ALOX15 P16050 1/20 0.56
MCL1 Q07820 1/20 0.55
CYP2D6 P10635 1/20 0.53
SPR P35270 1/20 0.53

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
SCHEMBL10167044 1.00 NOTUM (1.00) NOTUMALDH1A1NPC1PKMSMN1; SMN2
SCHEMBL5523654 1.00 NOTUM (1.00) NOTUMALDH1A1NPC1PKMSMN1; SMN2
SCHEMBL20462830 0.86 NOTUM (0.75) NOTUMALDH1A1NPC1PKMSMN1; SMN2
SCHEMBL1865732 0.84 NOTUM (0.73) NOTUMALDH1A1NPC1PKMSMN1; SMN2
SCHEMBL8057268 0.84 NOTUM (0.73) NOTUMALDH1A1NPC1PKMSMN1; SMN2
SCHEMBL1825815 0.83 NOTUM (0.71) NOTUMSMN1; SMN2MEN1KMT2A
SCHEMBL17018045 0.83 NOTUM (0.71) NOTUMSMN1; SMN2MEN1KMT2A
SCHEMBL30366703 0.83 NOTUM (0.71) NOTUMSMN1; SMN2MEN1KMT2A
SCHEMBL21172540 0.83 NOTUM (0.71) NOTUMALDH1A1NPC1PKMSMN1; SMN2
SCHEMBL21172704 0.83 NOTUM (0.71) NOTUMALDH1A1NPC1PKMSMN1; 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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9708267-B2 Activators of human pyruvate kinase THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-07-18 US claimed
US-20130109672-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICE (US) 2013-05-02 US claimed
EP-2563761-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE The U.S.A. As Represented By The Secretary, Department Of Health And Human Services (US) 2013-03-06 EP claimed
WO-2011137089-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-11-03 WO claimed
US-20260042748-A1 AZETIDINE COMPOUNDS FOR TREATMENT OF HSV ASSEMBLY BIOSCIENCES INC (US) 2026-02-12 US disclosed
EP-3356345-B1 HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS MAX PLANCK GESELLSCHAFT (DE) 2023-11-08 EP disclosed
US-20230181535-A1 UBIQUITIN-LIGASE INHIBITORS FOR THE TREATMENT OF CANCER FUND PROFESOR NOVOA SANTOS (ES) 2023-06-15 US disclosed
US-20230181535-A1 UBIQUITIN-LIGASE INHIBITORS FOR THE TREATMENT OF CANCER FUND PROFESOR NOVOA SANTOS (ES) 2023-06-15 US disclosed
US-20220016080-A1 COMPOUNDS THAT SELECTIVELY AND EFFECTIVELY INHIBIT HAKAI-MEDIATED UBIQUITINATION, AS ANTI-CANCER DRUGS FUND PROFESOR NOVOA SANTOS (ES) 2022-01-20 US disclosed
US-9944603-B2 Compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2018-04-17 US disclosed
US-9944603-B2 Compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2018-04-17 US disclosed
US-20170313659-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB LLC (US) 2017-11-02 US disclosed
WO-2002102785-A1 NOVEL BICYCLIC ISOXAZOLINONES AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-12-27 WO disclosed
EP-0656003-A1 CONDENSED INDOLE DERIVATIVES AS 5HT2C AND 5HT2B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-06-07 EP disclosed
EP-0409949-B1 ARYLSULPHONYL-NITROMETHANES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS ICI PLC (GB) 1994-05-18 EP disclosed
CN-1086819-A Novel compounds having 5-hydroxytryptamine receptor antagonistic activity SMITHKLINE BEECHAM PLC (GB) 1994-05-18 CN disclosed
WO-1994004533-A1 CONDENSED INDOLE DERIVATIVES AS 5HT2C AND 5HT2B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-03-03 WO disclosed
US-5185452-A Antidiabetic agents; aldose reductase inhibitor IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-09 US disclosed
EP-0409949-A1 ARYLSULPHONYL-NITROMETHANES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS. ICI PLC (GB) 1991-01-30 EP disclosed
WO-1990008763-A1 ARYLSULPHONYL-NITROMETHANES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-08-09 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 (5 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-20170313659-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SERPINB1, ELANE NOTUM 1324/4885ALDH1A1 514/4885NPC1 52/4885
US-20130109672-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE PDK2, PDK1, PKLR NOTUM 4742/4885ALDH1A1 1009/4885NPC1 2897/4885
US-20230181535-A1 UBIQUITIN-LIGASE INHIBITORS FOR THE TREATMENT OF CANCER XIAP, UBQLN1, MDM2 NOTUM 2496/4885ALDH1A1 1206/4885NPC1 2521/4885
US-20220016080-A1 COMPOUNDS THAT SELECTIVELY AND EFFECTIVELY INHIBIT HAKAI-MEDIATED UBIQUITINATION, AS ANTI-CANCER DRUGS CHUK, HIPK3, HIPK1 NOTUM 4317/4885ALDH1A1 967/4885NPC1 4325/4885
US-20260042748-A1 AZETIDINE COMPOUNDS FOR TREATMENT OF HSV CXCR1, ZC3HAV1L, ZC3HAV1 NOTUM 4724/4885ALDH1A1 1636/4885NPC1 44/4885

“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.