SCHEMBL5109205

SCHEMBL5109205

CC(C)c1ncccc1CO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 5/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
NPC1 O15118 3/20 0.43
HTT P42858 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.41
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GCGR P47871 1/20 0.37
MAPT P10636 3/20 0.36
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL31303494 0.88 MEN1 (0.42) MEN1KMT2AKDM4EL3MBTL1NPC1
SCHEMBL27797664 0.85 KMT2A (0.41) MEN1KMT2AKDM4EL3MBTL1NPC1
SCHEMBL13712999 0.84 TKT (0.38) MEN1KMT2AKDM4EL3MBTL1NPC1
SCHEMBL20818168 0.82 KDM4E (0.42) MEN1KMT2AKDM4EL3MBTL1NPC1
SCHEMBL4967842 0.81 CXCR4 (0.38) MEN1KMT2AKDM4EL3MBTL1NPC1
SCHEMBL6302317 0.81 MEN1 (0.44) MEN1KMT2AKDM4EL3MBTL1NPC1
SCHEMBL11257657 0.81 LMNA (0.46) MEN1KMT2AKDM4EL3MBTL1NPC1
SCHEMBL1132718 0.81 LMNA (0.39) KDM4EL3MBTL1LMNASMN1; SMN2ALDH1A1
SCHEMBL30567627 0.81 CYP11B1 (0.33) MEN1KMT2AKDM4EL3MBTL1NPC1
SCHEMBL14485138 0.79 GABRA1 (0.47) KDM4EL3MBTL1NPC1HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12435078-B2 Pyridazinones and methods of use thereof GFB (ABC), LLC (US) 2025-10-07 US disclosed
US-20230203028-A1 PYRIDAZINONES AND METHODS OF USE THEREOF GFB (ABC), LLC 2023-06-29 US disclosed
US-20230203028-A1 PYRIDAZINONES AND METHODS OF USE THEREOF GFB (ABC), LLC 2023-06-29 US disclosed
US-20230203028-A1 PYRIDAZINONES AND METHODS OF USE THEREOF GFB (ABC), LLC 2023-06-29 US disclosed
WO-2019055966-A2 PYRIDAZINONES AND METHODS OF USE THEREOF GOLDFINCH BIO, INC. (US) 2019-03-21 WO disclosed
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2018-04-19 US disclosed
US-9174992-B2 Heterobicyclic compounds AMGEN INC. (US) 2015-11-03 US disclosed
US-9133160-B2 Substituted benzimidazole and imidazopyridine compounds useful as CYP17 modulators BRISTOL-MEYERS SQUIBB COMPANY (US) 2015-09-15 US disclosed
US-20130310393-A1 SUBSTITUTED BENZIMIDAZOLE AND IMIDAZOPYRIDINE COMPOUNDS USEFUL AS CYP17 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-21 US disclosed
US-20130225552-A1 HETEROBICYCLIC COMPOUNDS AMGEN INC. (US) 2013-08-29 US disclosed
US-7342116-B2 Process for producing heterocyclic aldehyde KOEI CHEMICAL CO., LTD. (JP) 2008-03-11 US disclosed
US-20050124807-A1 oxidation of a hetero alcohol in presence od an 2,2,6,6-teraalkylpiperidin-1-oxy comound KOEI CHEMICAL CO., LTD. (JP) 2005-06-09 US disclosed
US-5726172-A BENZOXAZINONE DERIVATIVES; TREATMENT OF PRETERM LABOR, DYSMENORRHEA MERCK & CO., INC. (US) 1998-03-10 US disclosed
WO-1997025992-A1 TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-07-24 WO disclosed
EP-0291673-B1 TETRAHYDROPYRIDINE OXIMES, A PROCESS FOR THEIR PREPARATION AND USE THEREOF AS CHOLINERGIC AGENTS WARNER-LAMBERT COMPANY (US) 1993-06-02 EP disclosed
US-4798841-A COGNITION ACTIVATORS, ANALGESICS WARNER-LAMBERT COMPANY (US) 1989-01-17 US disclosed
EP-0291673-A1 Tetrahydropyridine oximes, a process for their preparation and use thereof as cholinergic agents WARNER-LAMBERT COMPANY (US) 1988-11-23 EP 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 (6 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-20230203028-A1 PYRIDAZINONES AND METHODS OF USE THEREOF PDXK, ATP6V1B1, REN MEN1 2719/4885KMT2A 3397/4885KDM4E 3899/4885
US-20050124807-A1 oxidation of a hetero alcohol in presence od an 2,2,6,6-teraalkylpiperidin-1-oxy comound ADH1C, ADH1A, AOX1 MEN1 4021/4885KMT2A 1985/4885KDM4E 3250/4885
US-20130310393-A1 SUBSTITUTED BENZIMIDAZOLE AND IMIDAZOPYRIDINE COMPOUNDS USEFUL AS CYP17 MODULATORS CYP3A43, CYP2C18, CYP3A7 MEN1 4232/4885KMT2A 2591/4885KDM4E 1744/4885
US-20130225552-A1 HETEROBICYCLIC COMPOUNDS PDE10A, PDE1B, PDE9A MEN1 2002/4885KMT2A 3538/4885KDM4E 3889/4885
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF PHGDH, PGD, PGK1 MEN1 2720/4885KMT2A 3904/4885KDM4E 3608/4885
US-12435078-B2 Pyridazinones and methods of use thereof PDXK, ATP6V1B1, REN MEN1 2719/4885KMT2A 3397/4885KDM4E 3899/4885

“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.