SCHEMBL540760

SCHEMBL540760

CC(=O)c1ccc(CN2CCOCC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.65
HPGD P15428 1/20 0.64
KMT2A Q03164 1/20 0.60
HIF1A Q16665 3/20 0.59
EPAS1 Q99814 3/20 0.59
NPC1 O15118 2/20 0.58
RAB9A P51151 1/20 0.58
ALDH1A1 P00352 1/20 0.58
KDM4E B2RXH2 1/20 0.58
MAPK1 P28482 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
NOS3 P29474 1/20 0.57
NOS1 P29475 1/20 0.57
NOS2 P35228 1/20 0.57

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
SCHEMBL4922787 0.89 NPC1 (0.65) HRH3KMT2AHIF1AEPAS1NPC1
SCHEMBL8027548 0.86 HPGD (0.68) HRH3HPGDKMT2AHIF1AEPAS1
SCHEMBL13984737 0.85 HRH3 (0.51) HRH3HPGDKMT2A
Hydrochloric Acid SCHEMBL27789112 0.85 HPGD (0.66) HRH3HPGDKMT2AHIF1AEPAS1
SCHEMBL426993 0.85 HPGD (0.66) HRH3HPGDKMT2AHIF1AEPAS1
SCHEMBL1177221 0.85 HPGD (0.66) HRH3HPGDKMT2AHIF1AEPAS1
SCHEMBL5839656 0.85 HPGD (0.66) HRH3HPGDKMT2AHIF1AEPAS1
SCHEMBL18413640 0.85 HPGD (0.66) HRH3HPGDKMT2AHIF1AEPAS1
SCHEMBL24733057 0.84 HRH3 (0.75) HRH3KMT2ANPC1ALDH1A1KDM4E
SCHEMBL12858056 0.84 ALDH1A1 (0.59) HRH3KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10550135-B2 Silicon incorporated quinolines with anti-malarial and anti-toxoplasmosis activity COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2020-02-04 US claimed
US-20190112321-A1 SILICON INCORPORATED QUINOLINES WITH ANTI-MALARIAL AND ANTI-TOXOPLASMOSIS ACTIVITY COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2019-04-18 US claimed
WO-2017168448-A1 SILICON INCORPORATED QUINOLINES WITH ANTI-MALARIAL AND ANTI-TOXOPLASMOSIS ACTIVITY COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-10-05 WO claimed
CN-119119033-A Pyrazolopyridone compounds 百济神州有限公司 2024-12-13 CN disclosed
US-20240300951-A1 Pyrazolopyridinone Compounds BEIGENE LTD. (KY) 2024-09-12 US disclosed
US-20240270751-A1 Pyrazolopyridinone Compounds BEIGENE LTD. (KY) 2024-08-15 US disclosed
EP-4380936-A1 PYRAZOLOPYRIDINONE COMPOUNDS BeiGene, Ltd. (KY) 2024-06-12 EP disclosed
CN-117836296-A Pyrazolopyridone compounds 百济神州有限公司 2024-04-05 CN disclosed
CN-117769548-A Aromatic acetylene derivative and preparation method and application thereof 浙江海正药业股份有限公司 2024-03-26 CN disclosed
WO-2023011456-A1 PYRAZOLOPYRIDINONE COMPOUNDS BEIGENE, LTD. (KY) 2023-02-09 WO disclosed
US-10550135-B2 Silicon incorporated quinolines with anti-malarial and anti-toxoplasmosis activity COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2020-02-04 US disclosed
WO-2009131171-A1 NOVEL FIVE-MEMBERED RING COMPOUND 大日本住友製薬株式会社 (JP) 2009-10-29 WO disclosed
WO-2009027395-A1 A NEW CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.R.L. (IT) 2009-03-05 WO disclosed
WO-2009027395-A1 A NEW CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.R.L. (IT) 2009-03-05 WO disclosed
US-20080234329-A1 Carboxamide compounds and their use as calpain inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2008-09-25 US disclosed
US-20080234330-A1 Carboxamide compounds and their use as calpain inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2008-09-25 US disclosed
WO-2008080969-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO. KG (DE) 2008-07-10 WO disclosed
US-20070105919-A1 adenosine A2A receptor antagonists; N-[4-(2-Furyl)-5-(4-pyridyl)thiazol-2-yl]pyridine-4-carboxamide; treatment of Parkinson's disease, Alzheimer's disease, progressive supranuclear palsy, AIDS encephalopathy, nerve system disorders KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-05-10 US disclosed
US-20070105919-A1 adenosine A2A receptor antagonists; N-[4-(2-Furyl)-5-(4-pyridyl)thiazol-2-yl]pyridine-4-carboxamide; treatment of Parkinson's disease, Alzheimer's disease, progressive supranuclear palsy, AIDS encephalopathy, nerve system disorders KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-05-10 US disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 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 (7 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-10550135-B2 Silicon incorporated quinolines with anti-malarial and anti-toxoplasmosis activity SMS, H1-5, SRM HRH3 97/4885HPGD 3526/4885KMT2A 608/4885
US-20080234329-A1 Carboxamide compounds and their use as calpain inhibitors CAMK2A, CAPN2, CAPN1 HRH3 2483/4885HPGD 3379/4885KMT2A 1958/4885
US-20080234330-A1 Carboxamide compounds and their use as calpain inhibitors CAMK2A, CAPN2, CAPN1 HRH3 2483/4885HPGD 3379/4885KMT2A 1958/4885
US-20190112321-A1 SILICON INCORPORATED QUINOLINES WITH ANTI-MALARIAL AND ANTI-TOXOPLASMOSIS ACTIVITY SMS, H1-5, SRM HRH3 97/4885HPGD 3526/4885KMT2A 608/4885
US-20240300951-A1 Pyrazolopyridinone Compounds NFATC1, CD4, PBK HRH3 1784/4885HPGD 1034/4885KMT2A 2627/4885
US-20070105919-A1 adenosine A2A receptor antagonists; N-[4-(2-Furyl)-5-(4-pyridyl)thiazol-2-yl]pyridine-4-carboxamide; treatment of Parkinson's disease, Alzheimer's disease, progressive supranuclear palsy, AIDS encephalopathy, nerve system disorders ADORA2A, ADORA3, ADORA1 HRH3 256/4885HPGD 3839/4885KMT2A 3885/4885
US-20240270751-A1 Pyrazolopyridinone Compounds NFATC1, CD4, PBK HRH3 1784/4885HPGD 1034/4885KMT2A 2627/4885

“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.