SCHEMBL441799

SCHEMBL441799

O=c1[nH]c(NCCCl)nc2nc[nH]c12

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.71
GDA Q9Y2T3 1/20 0.56
POLA1 P09884 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
SCHEMBL5935074 0.91 XDH (0.78) XDHGDAPOLA1
SCHEMBL6751934 0.85 XDH (0.71) XDHGDA
SCHEMBL667798 0.85 XDH (0.84) XDHGDAPOLA1
SCHEMBL9806979 0.85 XDH (0.71) XDHGDA
SCHEMBL9960821 0.84 XDH (0.69) XDHGDAPOLA1
SCHEMBL6272738 0.83 XDH (1.00) XDHGDAPOLA1
SCHEMBL17274775 0.83 XDH (0.76) XDHGDA
SCHEMBL874738 0.82 XDH (0.74) XDHGDAPOLA1
SCHEMBL7173183 0.82 XDH (0.66) XDHGDA
SCHEMBL766669 0.82 XDH (0.66) XDHGDA

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
CN-107903267-B Azo aromatic nitrogen mustard-chloroethyl nitrosourea coupled compound, preparation method and application 北京工业大学 2020-02-21 CN disclosed
CN-108484604-B Azo aromatic nitrogen oxide-chloroethyl nitrosourea coupling molecule targeting tumor hypoxia, and preparation method and application thereof 北京工业大学 2020-01-17 CN disclosed
CN-107903267-A A kind of compound and preparation method and application of the coupling of azo aryl nitrogen mustard chlorethylnitrosourea 北京工业大学 2018-04-13 CN disclosed
CN-107722010-A A kind of hypoxemia activation chlorethylnitrosourea containing nitroimidazole group and its preparation method and application 北京工业大学 2018-02-23 CN disclosed
WO-2017223254-A1 METHODS FOR CELL PROLIFERATION AND TOXICITY TESTING MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-12-28 WO disclosed
CN-105503874-B Hypoxemia activates joint chloroethylnitrosoureas compound and preparation method and application 北京工业大学 2017-10-27 CN disclosed
CN-105367573-B AGT protein inhibitors, its preparation method and application 北京工业大学 2017-07-14 CN disclosed
EP-1897882-B1 N2-QUINOLYL OR ISOQUINOLYL SUBSTITUTED PURINE DERIVATIVES, THE PREPARATION AND USES THEREOF ZHE JIANG MEDECINE CO LTD XINCHANG PHARMACEUTICAL FACTORY (CN) 2014-12-10 EP disclosed
US-8716346-B2 Alkylating agent combinations in the treatment of cancer CASE WESTERN RESERVE UNIVERSITY (US) 2014-05-06 US disclosed
US-8324282-B2 Alkylating agent combinations in the treatment of cancer CASE WESTERN RESERVE UNIVERSITY (US) 2012-12-04 US disclosed
US-20120065145-A1 ALKYLATING AGENT COMBINATIONS IN THE TREATMENT OF CANCER GERSON STANTON L (US) 2012-03-15 US disclosed
EP-1897882-A1 N2-QUINOLYL OR ISOQUINOLYL SUBSTITUTED PURINE DERIVATIVES, THE PREPARATION AND USES THEREOF Zhe Jiang Medecine Co., Ltd. Xinchang Pharmaceutical Factory (CN) 2008-03-12 EP disclosed
CN-100355886-C nucleotide chain modification method MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 2007-12-19 CN disclosed
US-20060241186-A1 Alkylating agent combinations in the treatment of cancer NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-10-26 US disclosed
CN-1780909-A nucleotide chain modification method MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 2006-05-31 CN disclosed
WO-2003070234-A9 ALKYLATING AGENT COMBINATIONS IN THE TREATMENT OF CANCER UNIV CASE WESTERN RESERVE (US) 2004-02-26 WO disclosed
US-6635677-B2 Potentiating toxicity of 1,3-bis(chloroethyl)2-nitrosourea CASE WESTERN RESERVE UNIVERSITY 2003-10-21 US disclosed
US-20020198264-A1 Methoxyamine combinations in the treatment of cancer CASE WESTERN RESERVE UNIVERSITY (US) 2002-12-26 US disclosed
US-6465448-B1 TREATING TUMORS RESISTANT TO TEMOZOLOMIDE ALONE CASE WESTERN RESERVE UNIVERSITY 2002-10-15 US disclosed
WO-2001012199-A2 METHOXYAMINE POTENTIATION OF TEMOZOLOMIDE ANTI-CANCER ACTIVITY CASE WESTERN RESERVE UNIVERSITY (US) 2001-02-22 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 (2 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-20060241186-A1 Alkylating agent combinations in the treatment of cancer UNG, TOP2A, OGG1 XDH 2763/4885GDA 73/4885POLA1 90/4885
US-20120065145-A1 ALKYLATING AGENT COMBINATIONS IN THE TREATMENT OF CANCER UNG, TOP2A, OGG1 XDH 2763/4885GDA 73/4885POLA1 90/4885

“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.