SCHEMBL2174829

SCHEMBL2174829

Cn1cc(C(N)=O)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.65
POLB P06746 1/20 0.65
KDM4E B2RXH2 1/20 0.63
ALDH1A1 P00352 3/20 0.63
LMNA P02545 2/20 0.63
KMT2A Q03164 2/20 0.63
MITF O75030 1/20 0.63
MAPT P10636 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
HTT P42858 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.56
RAB9A P51151 2/20 0.52
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52

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
SCHEMBL30542063 0.88 KDM4E (0.71) NR4A2POLBKDM4EALDH1A1LMNA
SCHEMBL10341064 0.88 KDM4E (0.71) NR4A2POLBKDM4EALDH1A1LMNA
SCHEMBL28131225 0.87 POLB (0.55) NR4A2POLBKDM4EALDH1A1LMNA
Isophthalic Acid SCHEMBL28131937 0.87 POLB (0.62) NR4A2POLBKDM4EALDH1A1LMNA
SCHEMBL3721490 0.86 ALDH1A1 (0.61) NR4A2POLBALDH1A1LMNAKMT2A
SCHEMBL29848366 0.83 NR4A2 (0.67) NR4A2POLBALDH1A1LMNAKMT2A
SCHEMBL29965768 0.83 POLB (0.72) NR4A2POLBKDM4EALDH1A1LMNA
SCHEMBL1887873 0.83 NR4A2 (0.67) NR4A2POLBALDH1A1LMNAKMT2A
SCHEMBL535878 0.83 POLB (0.72) NR4A2POLBKDM4EALDH1A1LMNA
SCHEMBL2434450 0.81 LMNA (0.68) NR4A2POLBALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110191882-A Novel heterocyclic compounds, preparation method and the pharmaceutical composition comprising it 株式会社大熊制药 2019-08-30 CN claimed
CN-106459030-B Replace tropane derivatives 东亚荣养株式会社 2019-01-29 CN claimed
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US claimed
WO-2024130095-A9 COMPOUNDS AND COMPOSITIONS AS CBP/P300 DEGRADERS AND USES THEREOF REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-08-02 WO disclosed
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-07-18 US disclosed
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-07-18 US disclosed
US-20240217971-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE Université de Montréal (CA) 2024-07-04 US disclosed
US-20240217971-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE Université de Montréal (CA) 2024-07-04 US disclosed
CN-118255685-A Tricyclic compound, pharmaceutical composition and application thereof 珂阑(上海)医药科技有限公司 2024-06-28 CN disclosed
EP-3356387-B1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS UNIV MONASH (AU) 2024-06-26 EP disclosed
WO-2024077391-A1 THIAZOLO[5,4-D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF UNIVERSITE DE MONTREAL (CA) 2024-04-18 WO disclosed
WO-2007008657-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-18 WO disclosed
CN-1668304-A Crystalline 2,5-dione-3-(1-methyl-1h-indol-3-yl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1h-indol-3-yl]-1h-pyrrole mono-hydrochloride LILLY CO ELI (US) 2005-09-14 CN disclosed
US-20050107428-A1 Chemical compounds ASTRAZENECA AB (SE) 2005-05-19 US disclosed
US-6414013-B1 KINASE INHIBITORS; ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-07-02 US disclosed
EP-0328200-B1 Five-membered ring systems with bonded azacyclic ring substituents MERCK SHARP & DOHME (GB) 1993-12-08 EP disclosed
US-5041456-A Pharmaceutically useful 3-(indol-3-yl)-1,2,4-oxa- and thiadiazoles substituted in the 5-position by an amino containing group MERCK SHARP & DOHME LTD. (GB) 1991-08-20 US disclosed
US-4952587-A PSYCHOLOGICAL DISORDERS, MIGRAINES, ALZHEIMER*S MERCK SHARP & DOHME LTD. (GB) 1990-08-28 US disclosed
EP-0328200-A1 Five-membered ring systems with bonded azacyclic ring substituents MERCK SHARP & DOHME LTD. (GB) 1989-08-16 EP disclosed
EP-0144986-A2 Indole-3-carboxamide derivatives Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1985-06-19 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 (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-20050107428-A1 Chemical compounds CCR10, CCR3, CXCR5 NR4A2 67/4885POLB 3604/4885KDM4E 1685/4885
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF NRAS, BRAF, KRAS NR4A2 1551/4885POLB 113/4885KDM4E 2695/4885
US-20240217971-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE BRAF, NRAS, DPYD NR4A2 1402/4885POLB 120/4885KDM4E 2840/4885

“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.