SCHEMBL3502037

SCHEMBL3502037

CCCCN(N=O)C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.39
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP8 P22894 1/20 0.36
CA2 P00918 1/20 0.33
ALDH1A1 P00352 3/20 0.32
CES2 O00748 2/20 0.32
CES1 P23141 2/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
FAAH O00519 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
SOAT1 P35610 1/20 0.31
DNM1 Q05193 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
SCHEMBL8521291 0.94 DNM1 (0.34) CA1CA12CA9CA2CES2
SCHEMBL3500621 0.86
SCHEMBL103667 0.80 CA12 (0.40) CA1CA12CA9MMP1MMP2
SCHEMBL103820 0.78 CA12 (0.39) CA1CA12CA9MMP1MMP2
SCHEMBL103877 0.77 ALDH1A1 (0.40) CA1CA12CA9MMP1MMP2
SCHEMBL1168252 0.77
Ethyl Nitrosourea SCHEMBL77485 0.77
SCHEMBL29441478 0.76 MEN1 (0.31) CA1CA12CA9MEN1KMT2A
SCHEMBL31462921 0.74 CA12 (0.35) CA1CA12CA9MMP1MMP2
SCHEMBL11179593 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104031047-A Novel chloroethyl nitrosourea with anticancer activity and synthesizing method thereof UNIV BEIJING TECHNOLOGY 2014-09-10 CN claimed
WO-2024097746-A1 ALKENE CYCLOPROPANATION WITH NICKEL CATALYST ENHANCER AND IMPROVED REARRANGEMENT REACTION CONAGEN INC. (US) 2024-05-10 WO disclosed
EP-3060535-B1 PROCESS FOR THE CYCLOPROPANATION OF OLEFINS USING N-ALKYL-N-NITROSO COMPOUNDS GIVAUDAN SA (CH) 2020-08-05 EP disclosed
CN-105658604-B Among organic compound or it is related to the improvement of organic compound 奇华顿股份有限公司 2019-10-25 CN 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
US-20170283342-A1 ORGANIC COMPOUNDS Givaudan, S.A. (CH) 2017-10-05 US disclosed
US-9718741-B2 Organic compounds Givaudan, S.A. (CH) 2017-08-01 US disclosed
US-20160369237-A1 METHODS TO ACCELERATE THE ISOLATION OF NOVEL CELL STRAINS FROM PLURIPOTENT STEM CELLS AND CELLS OBTAINED THEREBY ADVANCED CELL TECH INC (US) 2016-12-22 US disclosed
US-20160280615-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2016-09-29 US disclosed
EP-3060535-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan S.A. (CH) 2016-08-31 EP disclosed
CN-104031047-B A kind of chlorethylnitrosourea and synthetic method thereof with antitumour activity BEIJING UNIVERSITY OF TECHNOLOGY (CN) 2016-03-09 CN disclosed
WO-2015059290-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2015-04-30 WO disclosed
CN-104031047-A Novel chloroethyl nitrosourea with anticancer activity and synthesizing method thereof UNIV BEIJING TECHNOLOGY 2014-09-10 CN disclosed
US-20100184033-A1 METHODS TO ACCELERATE THE ISOLATION OF NOVEL CELL STRAINS FROM PLURIPOTENT STEM CELLS AND CELLS OBTAINED THEREBY Lineage Cell Therapeutics, Inc. 2010-07-22 US disclosed
US-20080226601-A1 Herpes Virus-Based Compositions and Methods of Use in the Prenatal and Perinatal Periods UNIVERSITY OF ROCHESTER (US) 2008-09-18 US disclosed
EP-1903873-A2 HERPES VIRUS-BASED COMPOSITIONS AND METHODS OF USE IN THE PRENATAL AND PERINATAL PERIODS THE UNIVERSITY OF ROCHESTER (US) 2008-04-02 EP disclosed
US-20080070303-A1 Using myocardial and/or muscle progenitor cells as modeling tool in tissue engineering; regenerative medicine and organ replacement ADVANCED CELL TECHNOLOGY 2008-03-20 US disclosed
WO-2006135602-A2 HERPES VIRUS-BASED COMPOSITIONS AND METHODS OF USE IN THE PRENATAL AND PERINATAL PERIODS UNIVERSITY OF ROCHESTER (US) 2006-12-21 WO disclosed
WO-1999011701-A1 METHODS OF USING A BUTYLUREA GEL COMPOSITION FOR THE TREATMENT AND PREVENTION OF INFECTIONS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY, A DIVISION OF YESHIVA UNIVERSITY (US) 1999-03-11 WO disclosed
US-5602284-A TREATING DIPHENYLAMINE WITH DOUBLE-BONDED OXYGEN COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1997-02-11 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 (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-20170283342-A1 ORGANIC COMPOUNDS NOC2L, NOS2, NCL CA1 2373/4885CA12 482/4885CA9 1205/4885
US-20160280615-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS NOC2L, NPM1, NOS2 CA1 2207/4885CA12 443/4885CA9 1673/4885

“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.