SCHEMBL441796

SCHEMBL441796

Nc1nc2nc(CCCl)[nH]c2c(=O)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PNP P00491 8/20 0.61
THRB P10828 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
FGFR1 P11362 1/20 0.45
FGFR2 P21802 1/20 0.45
MITF O75030 1/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
HBB P68871 1/20 0.42
HIF1A Q16665 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
SCHEMBL5935062 0.90 PNP (0.70) PNPTHRBKDM4EMEN1ALDH1A1
SCHEMBL9806967 0.85 PNP (0.63) PNPTHRBKDM4EMEN1ALDH1A1
SCHEMBL350396 0.83 PNP (0.61) PNPTHRBKDM4EMEN1ALDH1A1
SCHEMBL667795 0.83 PNP (0.61) PNPTHRBKDM4EMEN1ALDH1A1
SCHEMBL9960811 0.82 PNP (0.71) PNPTHRBKDM4EMEN1ALDH1A1
SCHEMBL15743133 0.82 PNP (0.59) PNPTHRBKDM4EMEN1ALDH1A1
SCHEMBL8196747 0.81 PNP (0.58) PNPTHRBKDM4EMEN1ALDH1A1
SCHEMBL6272728 0.81 PNP (0.58) PNPTHRBKDM4EMEN1ALDH1A1
SCHEMBL6266584 0.80 PNP (0.56) PNPTHRBKDM4EMEN1ALDH1A1
SCHEMBL21314870 0.80 PNP (0.56) PNPTHRBKDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230045112-A1 DISULFIRAM AND OTHER REDOX-RELATED COMPOSITIONS FOR BRAIN TUMORS TEXAS TECH UNIVERSITY SYSTEM 2023-02-09 US disclosed
US-20200109362-A1 METHODS FOR CELL PROLIFERATION AND TOXICITY TESTING MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-04-09 US disclosed
US-20180147178-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED HEXITOLS SUCH AS DIANHYDROGALACTITOL AND DIACETYLDIANHYDROGALACTITOL DELMAR PHARMACEUTICALS INC (CA) 2018-05-31 US 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
US-9901563-B2 Compositions to improve the therapeutic benefit of suboptimally administered chemical compounds including substituted hexitols such as dianhydrogalactitol and diacetyldianhydrogalactitol DELMAR PHARMACEUTICALS, INC. (CA) 2018-02-27 US 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
US-20160346231-A1 Disulfiram Compositions and Treatments for Brain Tumors TEXAS TECH UNIVERSITY SYSTEM 2016-12-01 US disclosed
EP-0702683-B1 06-SUBSTITUTED GUANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN TREATING TUMOUR CELLS CANCER REC TECH LTD (GB) 2003-09-17 EP disclosed
EP-0910246-A4 USE OF MUTANT ALKYLTRANSFERASES FOR GENE THERAPY TO PROTECT FROM TOXICITY OF THERAPEUTIC ALKYLATING AGENTS PENN STATE RES FOUND (US) 2003-07-02 EP 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
WO-1999025386-A1 delta-O6-METHYLGUANINE-DNA METHYLTRANSFERASE GENE TRANSFER FOR O6-BENZYLGUANINE AND (N,N'-BIS(2-CHLOROETHYL)-N-NITROSOUREA) RESISTANCE CASE WESTERN RESERVE UNIVERSITY (US) 1999-05-27 WO disclosed
EP-0910246-A1 USE OF MUTANT ALKYLTRANSFERASES FOR GENE THERAPY TO PROTECT FROM TOXICITY OF THERAPEUTIC ALKYLATING AGENTS THE PENN STATE RESEARCH FOUNDATION (US) 1999-04-28 EP disclosed
WO-1997035477-A1 USE OF MUTANT ALKYLTRANSFERASES FOR GENE THERAPY TO PROTECT FROM TOXICITY OF THERAPEUTIC ALKYLATING AGENTS THE PENN STATE RESEARCH FOUNDATION (US) 1997-10-02 WO disclosed
EP-0702683-A1 06-SUBSTITUTED GUANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN TREATING TUMOUR CELLS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1996-03-27 EP disclosed
WO-1994029312-A1 O6-SUBSTITUTED GUANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN TREATING TUMOUR CELLS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1994-12-22 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 (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-20230045112-A1 DISULFIRAM AND OTHER REDOX-RELATED COMPOSITIONS FOR BRAIN TUMORS MGMT, SHMT2, SHMT1 PNP 1267/4885THRB 3282/4885KDM4E 1149/4885
US-20160346231-A1 Disulfiram Compositions and Treatments for Brain Tumors MGMT, NNMT, GNMT PNP 1264/4885THRB 2641/4885KDM4E 618/4885
US-20180147178-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED HEXITOLS SUCH AS DIANHYDROGALACTITOL AND DIACETYLDIANHYDROGALACTITOL DDOST, DAD1, B3GAT3 PNP 1702/4885THRB 3996/4885KDM4E 3284/4885

“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.