SCHEMBL254096

SCHEMBL254096

CN1CCC2(CC1)OCCO2

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
POLB P06746 3/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL254408 0.90 KMT2A (0.41) KMT2APOLBKDM4EALDH1A1
SCHEMBL10034907 0.84 KMT2A (0.34) KMT2APOLBKDM4EALDH1A1MAPK1
SCHEMBL30558141 0.79 HRH3 (0.40) KMT2AALDH1A1MAPK1
SCHEMBL18656567 0.75
SCHEMBL22617771 0.75 KMT2A (0.39) KMT2AKDM4E
Iodide SCHEMBL25193566 0.74 KDM4E (0.33) KMT2APOLBKDM4EALDH1A1
SCHEMBL1796114 0.74 HRH3 (0.40) KMT2AALDH1A1MAPK1
SCHEMBL10289166 0.74 KMT2A (0.46) KMT2APOLBKDM4EALDH1A1MAPK1
SCHEMBL1374885 0.72 POLB (0.41) KMT2APOLBKDM4EALDH1A1MAPK1
SCHEMBL12955233 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228464-A9 TETRAZOLE CONTAINING APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARM INC (US) 2024-07-11 US disclosed
WO-2024108147-A1 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2024-05-23 WO disclosed
EP-3704102-B1 SUBSTITUTED QUINOLINE ANALOGS AS ALDEHYDE DEHYDROGENASE 1A1 (ALDH1A1) INHIBITORS US HEALTH (US) 2024-02-28 EP disclosed
US-11834436-B2 Tetrazole containing apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2023-12-05 US disclosed
EP-3621615-B1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARM INC (US) 2023-11-15 EP disclosed
WO-2023191533-A1 THIOBENZIMIDAZOLE DERIVATIVE PREPARATION METHOD AND NOVEL INTERMEDIATE THEREFOR 고려대학교 산학협력단 2023-10-05 WO disclosed
WO-2023173017-A1 KRAS INHIBITORS FOR TREATING DISEASE BLOSSOMHILL THERAPEUTICS, INC. (US) 2023-09-14 WO disclosed
WO-2023173016-A1 KRAS INHIBITORS FOR TREATING DISEASE BLOSSOMHILL THERAPEUTICS, INC. (US) 2023-09-14 WO disclosed
WO-2023173014-A1 KRAS INHIBITORS AND THEIR USE BLOSSOMHILL THERAPEUTICS, INC. (US) 2023-09-14 WO disclosed
US-11708358-B2 Fungicidal oxadiazoles FMC CORPORATION (US) 2023-07-25 US disclosed
US-7186724-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-03-06 US disclosed
US-7186724-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-03-06 US disclosed
US-20070043095-A1 Derivatives of 2-arylimino-2,3-dihydrothiazoles, their preparation processes and their therapeutic use IPSEN PHARMA S.A.S. (FR) 2007-02-22 US disclosed
US-20070032653-A1 N-{1-(4-(3-bromophenyl)-1H-imidazol-2-yl)-5-methylhexyl}-N-cyclohexylamine; agonists or antagonists of somatostatin receptors; acromegaly, restenosis, Crohn's disease, systemic sclerosis, external and internal pancreatic pseudocysts and ascites, nesidoblastosis, hyperinsulinism, gastrinoma, etc. SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2007-02-08 US disclosed
US-7173042-B2 Quinoline inhibitors of cGMP phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7173042-B2 Quinoline inhibitors of cGMP phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-20070010531-A1 Substituted pyrazole compounds MERCK PATENT GMBH (DE) 2007-01-11 US disclosed
US-20070010531-A1 Substituted pyrazole compounds MERCK PATENT GMBH (DE) 2007-01-11 US disclosed
US-20050085506-A1 Novel gamma secretase inhibitors SCHERING-PLOUGH CORPORATION AND PHARMACOPEIA, INC. 2005-04-21 US disclosed
US-20040072849-A1 Dioxanes and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-04-15 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-20070010531-A1 Substituted pyrazole compounds HTR3A, HTR1A, HTR1D KMT2A 3965/4885POLB 4156/4885KDM4E 3998/4885
US-20040072849-A1 Dioxanes and uses thereof UTS2R, HDAC5, AMDHD2 KMT2A 178/4885POLB 3909/4885KDM4E 164/4885
US-20070043095-A1 Derivatives of 2-arylimino-2,3-dihydrothiazoles, their preparation processes and their therapeutic use SSTR2, SSTR5, SSTR3 KMT2A 3603/4885POLB 4098/4885KDM4E 4074/4885
US-11834436-B2 Tetrazole containing apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof AIFM1, BAD, IRAK1 KMT2A 3609/4885POLB 4815/4885KDM4E 1664/4885
US-20070032653-A1 N-{1-(4-(3-bromophenyl)-1H-imidazol-2-yl)-5-methylhexyl}-N-cyclohexylamine; agonists or antagonists of somatostatin receptors; acromegaly, restenosis, Crohn's disease, systemic sclerosis, external and internal pancreatic pseudocysts and ascites, nesidoblastosis, hyperinsulinism, gastrinoma, etc. GHSR, IGF1R, GIPR KMT2A 2496/4885POLB 4143/4885KDM4E 4639/4885
US-20050085506-A1 Novel gamma secretase inhibitors BACE1, BACE2, APP KMT2A 2232/4885POLB 1458/4885KDM4E 2865/4885
US-20240228464-A9 TETRAZOLE CONTAINING APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF AIFM1, BAD, IRAK1 KMT2A 3609/4885POLB 4815/4885KDM4E 1664/4885
US-11708358-B2 Fungicidal oxadiazoles OXA1L, NOX1, TH KMT2A 4094/4885POLB 3571/4885KDM4E 3006/4885

“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.