SCHEMBL83185

SCHEMBL83185

CC(C(N)=O)c1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.50
CYP19A1 P11511 2/20 0.50
F7 P08709 1/20 0.48
F3 P13726 1/20 0.48
SARM1 Q6SZW1 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.48
SIRT6 Q8N6T7 1/20 0.48
SIRT1 Q96EB6 1/20 0.48
SIRT3 Q9NTG7 1/20 0.48
SIRT5 Q9NXA8 1/20 0.48
SIRT4 Q9Y6E7 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
TBXAS1 P24557 2/20 0.46
CFTR P13569 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
GOPC Q9HD26 1/20 0.46
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL17233832 1.00 CYP17A1 (0.50) CYP17A1CYP19A1F7F3SARM1
SCHEMBL17233924 1.00 CYP17A1 (0.50) CYP17A1CYP19A1F7F3SARM1
SCHEMBL30159419 1.00 CYP17A1 (0.50) CYP17A1CYP19A1F7F3SARM1
Hydrochloric Acid SCHEMBL5349524 0.98 CYP17A1 (0.49) CYP17A1CYP19A1F7F3SARM1
SCHEMBL27492286 0.85 CYP19A1 (0.52) CYP17A1CYP19A1SMN1; SMN2TBXAS1CFTR
SCHEMBL575045 0.83 AKR1C3 (0.57) CYP17A1CYP19A1SMN1; SMN2TBXAS1CFTR
SCHEMBL22899009 0.83 CYP19A1 (0.51) CYP17A1CYP19A1SMN1; SMN2TBXAS1CFTR
SCHEMBL6259017 0.83 AKR1C3 (0.57) CYP17A1CYP19A1SMN1; SMN2TBXAS1CFTR
SCHEMBL306372 0.82 F7 (0.53) CYP19A1F7F3SARM1SIRT2
SCHEMBL30338756 0.82 MKNK1 (0.59) MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108699005-A 3- (carboxy ethyl) -8- amino -2- oxo -1,3- aza-spiros-[4.5]Decane derivative 格吕伦塔尔有限公司 2018-10-23 CN claimed
CN-103687860-B As P2X7Heterocyclic amide derivatives of receptor antagonists 埃科特莱茵药品有限公司 2016-06-08 CN claimed
CN-104744461-A Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL MYERS SQUIBB CO 2015-07-01 CN claimed
CN-103687860-A As P2X7Heterocyclic amide derivatives of receptor antagonists ACTELION PHARMACEUTICALS LTD 2014-03-26 CN claimed
CN-102617567-A Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL MYERS SQUIBB CO 2012-08-01 CN claimed
EP-2470527-A1 ETHER BENZOTRIAZOLE DERIVATIVES Merck Sharp & Dohme Corp. (US) 2012-07-04 EP claimed
JP-4607319-B2 2011-01-05 JP claimed
CN-1578660-B Lactam-containing compounds and derivatives thereof as factor xa inhibitors BRISTOL MYERS SQUIBB CO 2010-11-24 CN claimed
CN-1812786-A Use of pyrazolopyridines for the treatment of cognitive deficits EXONHIT THERAPEUTICS SA (FR) 2006-08-02 CN claimed
CN-1780821-A Heterocyclic kinase inhibitors. ABBOTT LAB (US) 2006-05-31 CN claimed
CN-1578660-A Lactam-containing compounds and derivatives thereof as factor xa inhibitors BRISTOL MYERS SQUIBB CO (US) 2005-02-09 CN claimed
EP-1377589-A1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-01-07 EP claimed
WO-2002062804-A1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2002-08-15 WO claimed
JP-2002512190-A 2002-04-23 JP claimed
EP-1079832-A1 USE OF VITAMIN PP COMPOUNDS Klinge Pharma GmbH (DE) 2001-03-07 EP claimed
WO-1999053920-A1 USE OF VITAMIN PP COMPOUNDS KLINGE PHARMA GMBH (DE) 1999-10-28 WO claimed
US-20250346922-A1 COMPOUNDS FOR IMPROVEMENT OF VIRAL PRODUCTION TENAYA THERAPEUTICS INC (US) 2025-11-13 US disclosed
US-12201617-B2 HDAC6 inhibitors for treatment of metabolic disease and HFpEF TENAYA THERAPEUTICS, INC. (US) 2025-01-21 US disclosed
EP-1079832-A1 USE OF VITAMIN PP COMPOUNDS Klinge Pharma GmbH (DE) 2001-03-07 EP disclosed
WO-1999053920-A1 USE OF VITAMIN PP COMPOUNDS KLINGE PHARMA GMBH (DE) 1999-10-28 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 (1 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-12201617-B2 HDAC6 inhibitors for treatment of metabolic disease and HFpEF HDAC6, HDAC1, HDAC2 CYP17A1 1337/4885CYP19A1 3479/4885F7 3455/4885

“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.