SCHEMBL12588541

SCHEMBL12588541

CNc1ccc(C(C)=O)cn1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 12/20 0.72
NNMT P40261 3/20 0.70
MAPT P10636 1/20 0.44
HCAR2 Q8TDS4 2/20 0.44
KCNJ1 P48048 1/20 0.44
KMT2A Q03164 1/20 0.42

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
SCHEMBL30403146 0.84 HCAR3 (1.00) HCAR3NNMTHCAR2
SCHEMBL185895 0.84 HCAR3 (1.00) HCAR3NNMTHCAR2
SCHEMBL18715411 0.82 HCAR3 (0.70) HCAR3NNMTMAPT
SCHEMBL7093993 0.82 PTK2 (0.62) HCAR3NNMTMAPTKMT2A
SCHEMBL11005841 0.82 NNMT (0.53) HCAR3NNMTMAPTHCAR2KCNJ1
Hydrochloric Acid SCHEMBL4035906 0.82 HCAR3 (0.96) HCAR3NNMTHCAR2
SCHEMBL4320704 0.82 NNMT (1.00) HCAR3NNMT
Hydrochloric Acid SCHEMBL6474495 0.82 HCAR3 (0.96) HCAR3NNMTHCAR2
SCHEMBL8590143 0.81 HCAR3 (0.53) HCAR3NNMTMAPTHCAR2
SCHEMBL6984008 0.81 HCAR3 (0.68) HCAR3NNMTMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025151517-A1 THIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING DISORDERS ASSOCIATED WITH MISSFOLDING OF ALPHA-SYNUCLEIN PROTEIN WAVEBREAK THERAPEUTICS LIMITED (US) 2025-07-17 WO disclosed
US-20230285569-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF FRAGILE X Design Therapeutics, Inc. 2023-09-14 US disclosed
US-10717738-B2 Pyrimidinone and its derivatives inhibiting factor XIa ONO PHARMACEUTICAL CO., LTD. (JP) 2020-07-21 US disclosed
EP-2870156-B1 PYRIMIDINONE DERIVATIVES AS ANTIMALARIAL AGENTS SANOFI SA (FR) 2020-06-17 EP disclosed
EP-3290413-B9 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2020-04-29 EP disclosed
EP-3290413-B1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2019-11-13 EP disclosed
EP-3290413-A1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO Pharmaceutical Co., Ltd. (JP) 2018-03-07 EP disclosed
EP-2794597-B1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2017-11-15 EP disclosed
US-20170305917-A1 COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2017-10-26 US disclosed
US-9732085-B2 Pyridinone and pyrimidinone derivatives as factor Xia ONO PHARMACEUTICAL CO., LTD. (JP) 2017-08-15 US disclosed
US-9321790-B2 Pyrimidinone derivatives as antimalarial agents SANOFI (FR) 2016-04-26 US disclosed
US-9321790-B2 Pyrimidinone derivatives as antimalarial agents SANOFI (FR) 2016-04-26 US disclosed
US-20150183804-A1 Pyrimidinone Derivatives as Antimalarial Agents SANOFI (FR) 2015-07-02 US disclosed
US-20150183804-A1 Pyrimidinone Derivatives as Antimalarial Agents SANOFI (FR) 2015-07-02 US disclosed
US-20150152112-A1 COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2015-06-04 US disclosed
US-7956052-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-07 US disclosed
US-20100087435-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-08 US disclosed
US-7659268-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-02-09 US disclosed
US-20080019915-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); N[6-(2-hydroxymethylphenyl-1yl)-5-methylpyrimidine][(4-methoxophenyl-1-yl)cyclopopyl]-amide; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema and hemochromatosis, coagulation-fibrinolysis VERTEX PHARMACEUTICALS INCORPORATED 2008-01-24 US disclosed
EP-1816136-A1 GPR7-SELECTIVE LIGAND AND USE THEREOF BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-08 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 (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-20100087435-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 HCAR3 1332/4885NNMT 1349/4885MAPT 4509/4885
US-20150152112-A1 COMPOUNDS F11, F12, F10 HCAR3 3121/4885NNMT 1800/4885MAPT 4558/4885
US-20080019915-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); N[6-(2-hydroxymethylphenyl-1yl)-5-methylpyrimidine][(4-methoxophenyl-1-yl)cyclopopyl]-amide; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema and hemochromatosis, coagulation-fibrinolysis CFTR, ABCC8, ABCB1 HCAR3 2092/4885NNMT 1296/4885MAPT 4668/4885
US-20150183804-A1 Pyrimidinone Derivatives as Antimalarial Agents DHFR, PRMT1, PRMT7 HCAR3 4490/4885NNMT 28/4885MAPT 2806/4885
US-20170305917-A1 COMPOUNDS F11, F12, F10 HCAR3 3121/4885NNMT 1800/4885MAPT 4558/4885
US-20230285569-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF FRAGILE X CYFIP2, TPX2, CYFIP1 HCAR3 1528/4885NNMT 1370/4885MAPT 2699/4885
US-10717738-B2 Pyrimidinone and its derivatives inhibiting factor XIa F11, TFPI, F10 HCAR3 4085/4885NNMT 1032/4885MAPT 4781/4885

“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.