SCHEMBL3729290

SCHEMBL3729290

O=C1c2ccccc2C(=O)N1Cc1cc(Cl)ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.54
P2RX7 Q99572 1/20 0.48
TYR P14679 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CASP3 P42574 1/20 0.47
UCHL3 P15374 1/20 0.47
UCHL1 P09936 1/20 0.47

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
SCHEMBL9478240 0.88 GRM5 (0.55) GRM5TYRMEN1ALDH1A1KMT2A
SCHEMBL11081773 0.87 MAPT (0.58) GRM5TYRMEN1ALDH1A1GAA
SCHEMBL17866111 0.85 KMT2A (0.56) MEN1ALDH1A1GAAALOX15HTT
SCHEMBL18669089 0.84 KDM4E (0.67) GRM5P2RX7MEN1ALDH1A1GAA
SCHEMBL13077677 0.84 RPS6KA2 (0.50) TYRMEN1ALDH1A1GAAALOX15
SCHEMBL6076008 0.84 GRM5 (0.62) GRM5MEN1ALDH1A1GAAALOX15
SCHEMBL2558741 0.84 GRM5 (0.52) GRM5TYRCASP3
SCHEMBL29629115 0.84 GRM5 (0.52) GRM5TYRCASP3
SCHEMBL3729405 0.84 TYR (0.49) GRM5TYRMEN1ALDH1A1GAA
SCHEMBL10339317 0.82 TYR (0.64) GRM5TYRMEN1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017049409-A1 COMPOSITIONS FOR PROMOTING READTHROUGH OF PREMATURE TERMINATION CODONS, AND METHODS OF USING THE SAME THE CENTRE FOR DRUG RESEARCH AND DEVELOPMENT (CA) 2017-03-30 WO disclosed
WO-2017049409-A1 COMPOSITIONS FOR PROMOTING READTHROUGH OF PREMATURE TERMINATION CODONS, AND METHODS OF USING THE SAME THE CENTRE FOR DRUG RESEARCH AND DEVELOPMENT (CA) 2017-03-30 WO disclosed
US-7825126-B2 Purine derivatives as A3 and A1 adenosine receptor agonists THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-11-02 US disclosed
US-20070232626-A1 Purine Derivatives as A3 and A1 Adenosine Receptor Agonists GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPT OF HEALTH AND H (MD) 2007-10-04 US disclosed
EP-1794162-A1 PURINE DERIVATIVES AS A3 AND A1 ADENOSINE RECEPTOR AGONISTS The Government of the United States of America, as repres. by the Secretary of Health and Human Services, Nat. Inst. of Health (US) 2007-06-13 EP disclosed
WO-2006031505-A1 PURINE DERIVATIVES AS A3 AND A1 ADENOSINE RECEPTOR AGONISTS GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2006-03-23 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 (1 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-20070232626-A1 Purine Derivatives as A3 and A1 Adenosine Receptor Agonists ADORA1, ADORA3, ADORA2A GRM5 1721/4885P2RX7 9/4885TYR 4703/4885

“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.