SCHEMBL314058

SCHEMBL314058

c1cnc(-c2ncco2)c(-c2ncco2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
TDP2 O95551 1/20 0.42
NSD2 O96028 1/20 0.42
ABL1 P00519 1/20 0.42
PLCG1 P19174 1/20 0.42
CES1 P23141 1/20 0.42
PAX8 Q06710 1/20 0.42
RIN1 Q13671 1/20 0.42
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.42
BRD4 O60885 1/20 0.41
HPGDS O60760 1/20 0.41
LTA4H P09960 1/20 0.40
ADRA1A P35348 4/20 0.38
ADRA1D P25100 3/20 0.38
ADRA2A P08913 2/20 0.38
ADRA1B P35368 1/20 0.38

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
SCHEMBL20819423 0.85 HPGDS (0.51) TDP1TDP2NSD2ABL1PLCG1
SCHEMBL1919495 0.81 HPGDS (0.52) BRD4HPGDSLTA4HADRA1AADRA1D
SCHEMBL362411 0.80 CASP6 (0.35) TDP1TDP2NSD2ABL1PLCG1
SCHEMBL362412 0.80 CASP6 (0.38) TDP1TDP2NSD2ABL1PLCG1
SCHEMBL15951008 0.78 CYP2A6 (0.46) TDP1BRD4HPGDSLTA4HKDM4E
SCHEMBL20599370 0.78 PIN1 (0.43) MEN1KMT2ABRD4HPGDSLTA4H
SCHEMBL31734567 0.78 BRD4 (0.41) TDP1TDP2NSD2ABL1PLCG1
SCHEMBL22557217 0.78 HPGDS (0.40) TDP1TDP2NSD2ABL1PLCG1
SCHEMBL30792106 0.78 MAP4K4 (0.44) BRD4HPGDSLTA4HADRA1AADRA1D
SCHEMBL26259967 0.77 BRD4 (0.53) TDP1GAABRD4HPGDSLTA4H

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
JP-2036181-A None JP disclosed
EP-2264005-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRIN COMPOUND SUMITOMO CHEMICAL CO (JP) 2015-12-02 EP disclosed
US-8518928-B2 Therapeutic compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-08-27 US disclosed
US-8309753-B2 Method for producing optically active cyanohydrin compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-13 US disclosed
US-20120071527-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-22 US disclosed
US-8093235-B2 Macrocyclic compounds which stabilize G-Quadruplex DNA and RNA RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-01-10 US disclosed
US-20110034718-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRIN COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-10 US disclosed
EP-2264005-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRIN COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-12-22 EP disclosed
JP-2009256262-A MANUFACTURING METHOD OF OPTICALLY ACTIVE CYANOHYDRIN COMPOUND SUMITOMO CHEMICAL CO LTD 2009-11-05 JP disclosed
EP-2079704-A2 THERAPEUTIC COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2009-07-22 EP disclosed
US-20090156627-A1 THERAPEUTIC COMPOUNDS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-06-18 US disclosed
WO-2007127173-A2 THERAPEUTIC COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2007-11-08 WO disclosed
US-5994556-A Bis(ortho-diarylphosphinophenyl)-tetrahydro-bi(1,3-oxazole) and a preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 1999-11-30 US disclosed
JP-H0236181-A ASYMMETRIC BISOXAZOLYLPYRIDINE DERIVATIVE AND PRODUCTION THEREOF MITSUI TOATSU CHEM INC 1990-02-06 JP 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-20090156627-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, RECQL TDP1 96/4885TDP2 250/4885NSD2 430/4885
US-20120071527-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, TOP1 TDP1 103/4885TDP2 255/4885NSD2 391/4885
US-20110034718-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRIN COMPOUND CBR3, ACSL3, CCNL2 TDP1 4826/4885TDP2 4808/4885NSD2 2782/4885

“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.