SCHEMBL4395089

SCHEMBL4395089

[N-]=[N+]=NNC(=O)C(Cl)(Cl)Cl

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL8528148 0.76 CA2 (0.40)
SCHEMBL1700474 0.69
SCHEMBL16500111 0.67
SCHEMBL7769401 0.63 L3MBTL1 (0.35) L3MBTL1
SCHEMBL23142788 0.62 MIF (0.40)
SCHEMBL2343950 0.60
SCHEMBL712181 0.60 ALDH1A1 (0.44) L3MBTL1
SCHEMBL7770033 0.59 L3MBTL1 (0.32) L3MBTL1
SCHEMBL5699853 0.59
SCHEMBL9653080 0.58

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0996455-B1 ALPHA-O-LINKED GLYCOCONJUGATES WITH CLUSTERED (2,6)-ST EPITOPES, METHODS OF PREPARATION AND USES THEREOF SLOAN KETTERING INST CANCER (US) 2009-12-16 EP disclosed
US-7550146-B2 Glycopeptide conjugates and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2009-06-23 US disclosed
US-7160856-B2 α-O-linked glycoconjugates, methods of preparation and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2007-01-09 US disclosed
US-20050222398-A1 Glycopeptide conjugates and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-10-06 US disclosed
EP-0996455-A4 ALPHA-O-LINKED GLYCOCONJUGATES WITH CLUSTERED (2,6)-ST EPITOPES, METHODS OF PREPARATION AND USES THEREOF SLOAN KETTERING INSTITUTEFOR C (US) 2005-06-08 EP disclosed
EP-1091751-A4 TRIMERIC ANTIGENIC O-LINKED GLYCOPEPTIDE CONJUGATES, METHODS OF PREPARATION AND USES THEREOF SLOAN KETTERING INSTITUTEFOR C (US) 2005-01-19 EP disclosed
US-20040102607-A1 Trimeric antigenic O-linked glycopeptide conjugates, methods of preparation and uses thereof DANISHEFSKY SAMUEL J (US) 2004-05-27 US disclosed
US-6660714-B1 Anticancer agents SLOAN KETTERING INSTITUTE FOR CANCER RESEARCH 2003-12-09 US disclosed
US-20030083235-A1 Alpha-o-linked glycoconjugates, methods of preparation and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-05-01 US disclosed
EP-1091751-A1 TRIMERIC ANTIGENIC O-LINKED GLYCOPEPTIDE CONJUGATES, METHODS OF PREPARATION AND USES THEREOF Sloan-Kettering Institute For Cancer Research (US) 2001-04-18 EP disclosed
EP-0996455-A1 $g(a)-O-LINKED GLYCOCONJUGATES WITH CLUSTERED (2,6)-ST EPITOPES, METHODS OF PREPARATION AND USES THEREOF Sloan-Kettering Institute For Cancer Research (US) 2000-05-03 EP disclosed
WO-1999048515-A9 TRIMERIC ANTIGENIC O-LINKED GLYCOPEPTIDE CONJUGATES, METHODS OF PREPARATION AND USES THEREOF SLOAN KETTERING INST CANCER (US) 1999-11-25 WO disclosed
WO-1999048515-A1 TRIMERIC ANTIGENIC O-LINKED GLYCOPEPTIDE CONJUGATES, METHODS OF PREPARATION AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1999-09-30 WO disclosed
WO-1998046246-A1 α-O-LINKED GLYCOCONJUGATES WITH CLUSTERED (2,6)-ST EPITOPES, METHODS OF PREPARATION AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1998-10-22 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-20050222398-A1 Glycopeptide conjugates and uses thereof MUC1, FUT5, FUT6 L3MBTL1 2229/4885
US-20040102607-A1 Trimeric antigenic O-linked glycopeptide conjugates, methods of preparation and uses thereof MUC1, OSTC, SIGLEC7 L3MBTL1 2311/4885
US-20030083235-A1 Alpha-o-linked glycoconjugates, methods of preparation and uses thereof MUC1, FUT5, FUT6 L3MBTL1 2351/4885

“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.