SCHEMBL1998467

SCHEMBL1998467

O=CNCCc1c[nH]cn1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.31
ADH1A P07327 1/20 0.31
ADH7 P40394 1/20 0.31

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
SCHEMBL2000950 0.89 ADH1B (0.35) ADH1BADH1AADH7
SCHEMBL31364605 0.82 ALDH1A1 (0.31)
SCHEMBL31364603 0.82 ALDH1A1 (0.31)
SCHEMBL16715937 0.81
SCHEMBL1996727 0.81
SCHEMBL1117288 0.79
SCHEMBL7961089 0.77
SCHEMBL17654953 0.77 EPHX2 (0.33)
SCHEMBL2893056 0.76 HRH4 (0.38)
SCHEMBL1230783 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275022-A1 Substituted Quinazolones as Anti-Cancer Agents ASTRAZENECA AB (SE) 2008-11-06 US claimed
EP-1761506-A1 SUBSTITUTED QUINAZOLONES AS ANTI-CANCER AGENTS AstraZeneca AB (SE) 2007-03-14 EP claimed
WO-2005123696-A1 SUBSTITUTED QUINAZOLONES AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2005-12-29 WO claimed
CN-113227075-B Novel process for producing N, N' -bis [2- (1H-imidazol-4-yl) ethyl ] malonamide 瓦伦塔有限责任公司 2025-01-17 CN disclosed
WO-2019065794-A1 ANALGESIC DRUG USING PAC1 RECEPTOR ANTAGONISTIC DRUG 国立大学法人鹿児島大学 2019-04-04 WO disclosed
WO-2017145165-A9 COMPOSITIONS AND METHODS FOR DIAGNOSIS AND TREATMENT OF CENTRAL NERVOUS SYSTEM METASTASES RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2017-11-23 WO disclosed
EP-2714662-B1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2017-10-11 EP disclosed
WO-2017145165-A1 COMPOSITIONS AND METHODS FOR DIAGNOSIS AND TREATMENT OF CENTRAL NERVOUS SYSTEM METASTASES RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2017-08-31 WO disclosed
US-9540392-B2 Thienopyrimidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-10 US disclosed
US-9540392-B2 Thienopyrimidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-10 US disclosed
EP-2852596-B1 THIENOPYRIMIDINES Bayer Pharma AG (DE) 2016-06-22 EP disclosed
US-20080171753-A1 Carbamoyl-Substituted Spiro Derivative MSD K.K. (JP) 2008-07-17 US disclosed
EP-1795527-A1 CARBAMOYL-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-06-13 EP disclosed
US-7223755-B2 Hydroxymorpholinone derivative and medicinal use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2007-05-29 US disclosed
EP-1761506-A1 SUBSTITUTED QUINAZOLONES AS ANTI-CANCER AGENTS AstraZeneca AB (SE) 2007-03-14 EP disclosed
EP-1757594-A1 QUINAZOLINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 EP disclosed
WO-2005123696-A1 SUBSTITUTED QUINAZOLONES AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2005-12-29 WO disclosed
US-20050176704-A1 Hydroxymorpholinone derivative and medicinal use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2005-08-11 US disclosed
US-6140338-A FOR TREATING ACUTE INFLAMMATORY DISEASES, CHRONIC INFLAMMATORY DISEASES, ACQUIRED IMMUNE DEFICIENCY SYNDROME, CANCER, ISCHEMIC REFLOW DISORDER AND/OR ARTERIOSCLEROSIS BANYU PHARMACEUTICAL, CO., LTD. (JP) 2000-10-31 US disclosed
EP-0916668-A1 CHEMOKINE RECEPTOR ANTAGONISTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-05-19 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 (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-20050176704-A1 Hydroxymorpholinone derivative and medicinal use thereof CAPN1, OPRM1, CAPN2 ADH1B 4036/4885ADH1A 1772/4885ADH7 4319/4885
US-20080275022-A1 Substituted Quinazolones as Anti-Cancer Agents BRAF, NRAS, RAF1 ADH1B 1654/4885ADH1A 1947/4885ADH7 1585/4885
US-20080171753-A1 Carbamoyl-Substituted Spiro Derivative HRH3, HRH4, HRH2 ADH1B 1735/4885ADH1A 879/4885ADH7 1810/4885

“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.