SCHEMBL504661

SCHEMBL504661

NNC(=O)CNC(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.60
LMNA P02545 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
PRSS1 P07477 2/20 0.56
TPSAB1 Q15661 2/20 0.56
TPSD1 Q9BZJ3 1/20 0.56
TPSG1 Q9NRR2 1/20 0.56
KDM1A O60341 1/20 0.55
RCOR1 Q9UKL0 1/20 0.55
HTT P42858 2/20 0.55
MAPK1 P28482 1/20 0.54
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA9 Q16790 2/20 0.53
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
CTSS P25774 1/20 0.52
CTSK P43235 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL11126514 0.97 ALDH1A1 (0.58) ALDH1A1LMNASMN1; SMN2PRSS1TPSAB1
SCHEMBL19328790 0.86 ALDH1A1 (0.59) ALDH1A1LMNASMN1; SMN2PRSS1TPSAB1
SCHEMBL31550495 0.85 ALDH1A1 (0.62) ALDH1A1LMNASMN1; SMN2PRSS1TPSAB1
SCHEMBL27777087 0.84 ALDH1A1 (0.58) ALDH1A1LMNASMN1; SMN2PRSS1TPSAB1
SCHEMBL8156969 0.84 ALDH1A1 (0.58) ALDH1A1LMNASMN1; SMN2PRSS1TPSAB1
SCHEMBL21771367 0.84 LMNA (0.59) ALDH1A1LMNASMN1; SMN2PRSS1TPSAB1
SCHEMBL16258192 0.84 ALDH1A1 (0.58) ALDH1A1LMNASMN1; SMN2PRSS1TPSAB1
SCHEMBL17079191 0.84 HTT (0.64) LMNASMN1; SMN2PRSS1TPSAB1HTT
SCHEMBL13644307 0.84 LMNA (0.58) ALDH1A1LMNASMN1; SMN2PRSS1TPSAB1
SCHEMBL8426731 0.84 ALDH1A1 (0.60) ALDH1A1LMNASMN1; SMN2PRSS1TPSAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116438160-A Carbamoyl compounds for the treatment of viral infections 豪夫迈·罗氏有限公司 2023-07-14 CN disclosed
EP-4204393-A1 AMINOCARBAMOYL COMPOUNDS FOR THE TREATMENT OF VIRAL INFECTIONS F. Hoffmann-La Roche AG (CH) 2023-07-05 EP disclosed
WO-2022043374-A1 AMINOCARBAMOYL COMPOUNDS FOR THE TREATMENT OF VIRAL INFECTIONS F. HOFFMANN-LA ROCHE AG (CH) 2022-03-03 WO disclosed
CN-108794353-B Application of compound as blocking reagent of glycosyl on antibody 嵊州宝康医疗科技有限公司 2021-08-03 CN disclosed
CN-108794353-B Application of compound as blocking reagent of glycosyl on antibody 嵊州宝康医疗科技有限公司 2021-08-03 CN disclosed
US-8865755-B2 Dual-acting antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-10-21 US disclosed
US-20130210874-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2013-08-15 US disclosed
WO-2013093931-A2 NOVEL PRODRUGS OF PHENOLIC DRUGS SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2013-06-27 WO disclosed
WO-2013093931-A2 NOVEL PRODRUGS OF PHENOLIC DRUGS SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2013-06-27 WO disclosed
US-8338418-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2012-12-25 US disclosed
US-20100022599-A1 imidazole or triazole derivatives such as 4-[4-((R)-1-Benzyl-2-hydroxycarbamoylethylcarbamoyl)-2-butylimidazol-1-ylmethyl]benzoic acid methyl ester, used for treating congestive heart failure or as hypotensive agents THERAVANCE BIOPHARMA R&D IP, LLC 2010-01-28 US disclosed
US-7618983-B2 Bicyclic triazole α4 integrin inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2009-11-17 US disclosed
US-20060128748-A1 Bicyclic triazole alpha4 integrin inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2006-06-15 US disclosed
WO-2006052962-A2 BICYCLIC TRIAZOLE A4 INTEGRIN INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-18 WO disclosed
EP-0076557-B1 PEPTIDES AND PSEUDOPEPTIDES IN WHICH THE N TERMINUS BEARS TWO SUBSTITUENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-11-13 EP disclosed
US-4464300-A PSYCHOTROPIC, ANXIOLYTIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1984-08-07 US disclosed
US-4421744-A OPIATE RECEPTOR ANTAGONISTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-12-20 US disclosed
EP-0076557-A2 Peptides and pseudopeptides in which the N terminus bears two substituents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-04-13 EP disclosed
US-4341704-A 4,1-Benzoxazepines and thia analogs thereof SHIONOGI & CO., LTD. (JP) 1982-07-27 US disclosed
US-4297280-A USEFUL AS CENTRAL NERVOUS SYSTEM DRUGS SHIONOGI & CO., LTD. (JP) 1981-10-27 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 (3 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-20130210874-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 ALDH1A1 2758/4885LMNA 1515/4885SMN1; SMN2 4276/4885
US-20100022599-A1 imidazole or triazole derivatives such as 4-[4-((R)-1-Benzyl-2-hydroxycarbamoylethylcarbamoyl)-2-butylimidazol-1-ylmethyl]benzoic acid methyl ester, used for treating congestive heart failure or as hypotensive agents AGTR1, REN, AGTR2 ALDH1A1 2509/4885LMNA 1794/4885SMN1; SMN2 3885/4885
US-20060128748-A1 Bicyclic triazole alpha4 integrin inhibitors ITGA4, ITGB4, ITGB5 ALDH1A1 1568/4885LMNA 3900/4885SMN1; SMN2 4635/4885

“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.