SCHEMBL977874

SCHEMBL977874

c1nnnn1N1CCCC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL689873 0.98 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AHPGD
SCHEMBL956232 0.65
SCHEMBL29220885 0.64
Hydrochloric Acid SCHEMBL4062543 0.62
Hydrochloric Acid SCHEMBL28821719 0.62
SCHEMBL5271545 0.60
Hydrochloric Acid SCHEMBL30724670 0.57
SCHEMBL1922969 0.56
SCHEMBL9026071 0.56 MEN1 (0.39) ALDH1A1MEN1KMT2A
SCHEMBL828913 0.56

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116234802-A Quinoline CGAS antagonist compounds 免疫传感器治疗股份有限公司 2023-06-06 CN claimed
CN-116234802-A Quinoline CGAS antagonist compounds 免疫传感器治疗股份有限公司 2023-06-06 CN disclosed
US-11319315-B2 Cyclohexyl acid triazole azoles as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2022-05-03 US disclosed
EP-3041832-A1 STEREOSELECTIVE SYNTHESIS OF DIOLS AND TRIOLS BY MANNICH REACTION AND THEIR USE IN THE SYNTHESIS OF CARFILZOMIB Sandoz AG (CH) 2016-07-13 EP disclosed
US-20160194354-A1 STEREOSELECTIVE SYNTHESIS OF DIOLS AND TRIOLS BY MANNICH REACTION AND THEIR USE IN THE SYNTHESIS OF CARFILZOMIB SANDOZ GMBH (AT) 2016-07-07 US disclosed
WO-2015032622-A1 STEREOSELECTIVE SYNTHESIS OF DIOLS AND TRIOLS BY MANNICH REACTION AND THEIR USE IN THE SYNTHESIS OF CARFILZOMIB SANDOZ AG (CH) 2015-03-12 WO disclosed
US-8372985-B2 Process of making α-aminooxyketone/α-aminooxyaldehyde and α-hydroxyketone/α-hydroxyaldehyde compounds and a process of making reaction products from cyclic α, β-unsaturated ketone substrates and nitroso substrates JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2013-02-12 US disclosed
US-20120302792-A1 PROCESS OF MAKING ALPHA-AMINOOXYKETONE/ALPHA-AMINOOXYALDEHYDE AND ALPHA-HYDROXYKETONE/ALPHA-HYDROXYALDEHYDE COMPOUNDS AND A PROCESS MAKING REACTION PRODUCTS FROM CYCLIC ALPHA, BETA-UNSATURATED KETONE SUBSTRATES AND NITROSO SUBSTRATES JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2012-11-29 US disclosed
US-8252941-B2 Process of making alpha-aminooxyketone/alpha-aminooxyaldehyde and alpha-hydroxyketone/alpha-hydroxyaldehyde compounds and a process making reaction products from cyclic alpha, beta-unsaturated ketone substrates and nitroso substrates JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2012-08-28 US disclosed
US-7872123-B2 Process of making α-aminooxyketone/α-aminooxyaldehyde and α-hydroxyketone/α-hydroxyaldehyde compounds and a process making reaction products from cyclic α,β-unsaturated ketone substrates and nitroso substrates JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-01-18 US disclosed
US-20100099915-A1 PROCESS OF MAKING ALPHA-AMINOOXYKETONE/ALPHA-AMINOOXYALDEHYDE AND ALPHA-HYDROXYKETONE/ALPHA-HYDROXYALDEHYDE COMPOUNDS AND A PROCESS MAKING REACTION PRODUCTS FROM CYCLIC ALPHA, BETA-UNSATURATED KETONE SUBSTRATES AND NITROSO SUBSTRATES JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-04-22 US disclosed
US-20070037973-A1 reacting a cyclic alpha , beta -unsaturated ketone compound with a nitroso compound in the presence of a proline-based catalyst to provide 7-Phenyl-6-oxa-7-aza-bicyclo[3.2.2]nonan-9-one or derivatives; catalytic asymmetric O-nitroso Aldol/Michael reaction JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-02-15 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 (5 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-20070037973-A1 reacting a cyclic alpha , beta -unsaturated ketone compound with a nitroso compound in the presence of a proline-based catalyst to provide 7-Phenyl-6-oxa-7-aza-bicyclo[3.2.2]nonan-9-one or derivatives; catalytic asymmetric O-nitroso Aldol/Michael reaction XDH, PDXK, AOX1 ALDH1A1 103/4885MEN1 4690/4885KMT2A 3301/4885
US-11319315-B2 Cyclohexyl acid triazole azoles as LPA antagonists LPAR3, LPAR1, LPAR2 ALDH1A1 2329/4885MEN1 2858/4885KMT2A 1738/4885
US-20160194354-A1 STEREOSELECTIVE SYNTHESIS OF DIOLS AND TRIOLS BY MANNICH REACTION AND THEIR USE IN THE SYNTHESIS OF CARFILZOMIB PAICS, MANBA, MAN2A1 ALDH1A1 2822/4885MEN1 746/4885KMT2A 878/4885
US-20100099915-A1 PROCESS OF MAKING ALPHA-AMINOOXYKETONE/ALPHA-AMINOOXYALDEHYDE AND ALPHA-HYDROXYKETONE/ALPHA-HYDROXYALDEHYDE COMPOUNDS AND A PROCESS MAKING REACTION PRODUCTS FROM CYCLIC ALPHA, BETA-UNSATURATED KETONE SUBSTRATES AND NITROSO SUBSTRATES XDH, QSOX1, KMO ALDH1A1 113/4885MEN1 4131/4885KMT2A 2252/4885
US-20120302792-A1 PROCESS OF MAKING ALPHA-AMINOOXYKETONE/ALPHA-AMINOOXYALDEHYDE AND ALPHA-HYDROXYKETONE/ALPHA-HYDROXYALDEHYDE COMPOUNDS AND A PROCESS MAKING REACTION PRODUCTS FROM CYCLIC ALPHA, BETA-UNSATURATED KETONE SUBSTRATES AND NITROSO SUBSTRATES XDH, AOX1, QSOX1 ALDH1A1 135/4885MEN1 4372/4885KMT2A 2487/4885

“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.