SCHEMBL1850220

SCHEMBL1850220

N#Cc1sc(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)nc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.55
RAB9A P51151 2/20 0.52
LMNA P02545 1/20 0.52
ADORA1 P30542 4/20 0.48
CYP1A2 P05177 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
CASP6 P55212 1/20 0.47
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
NPC1 O15118 1/20 0.46
CASR P41180 1/20 0.46
USP2 O75604 1/20 0.46
CYP2C19 P33261 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL1849285 1.00 ADORA2A (0.55) ADORA2ARAB9ALMNAADORA1CYP1A2
SCHEMBL3766068 0.94 ADORA2A (0.50) ADORA2ARAB9ALMNAADORA1CYP1A2
SCHEMBL3788323 0.90 ADORA2A (0.50) ADORA2ARAB9ALMNAADORA1CYP1A2
SCHEMBL3788321 0.90 ADORA2A (0.50) ADORA2ARAB9ALMNAADORA1CYP1A2
SCHEMBL3758410 0.90 ALDH1A1 (0.54) ADORA2ARAB9ALMNACYP1A2ADORA3
SCHEMBL1848575 0.90 ALDH1A1 (0.54) ADORA2ARAB9ALMNACYP1A2ADORA3
SCHEMBL3764601 0.90 ALDH1A1 (0.54) ADORA2ARAB9ALMNACYP1A2ADORA3
SCHEMBL1848574 0.90 ALDH1A1 (0.54) ADORA2ARAB9ALMNACYP1A2ADORA3
SCHEMBL1852660 0.90 ALDH1A1 (0.54) ADORA2ARAB9ALMNACYP1A2ADORA3
SCHEMBL1847117 0.89 ADORA3 (0.57) ADORA2ARAB9ALMNAADORA1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410282-B2 Compounds as adenosine A1 receptor antagonists PALOBIOFARMA, S.L. (ES) 2013-04-02 US claimed
EP-2197860-B1 NEW COMPOUNDS AS ADENOSINE A1 RECEPTOR ANTAGONISTS PALOBIOFARMA SL (ES) 2011-05-25 EP claimed
US-20100311703-A1 NEW COMPOUNDS AS ADENOSINE A1 RECEPTOR ANTAGONISTS PALOBIOFARMA, S.L. (ES) 2010-12-09 US claimed
US-8410282-B2 Compounds as adenosine A1 receptor antagonists PALOBIOFARMA, S.L. (ES) 2013-04-02 US disclosed
EP-2197860-B1 NEW COMPOUNDS AS ADENOSINE A1 RECEPTOR ANTAGONISTS PALOBIOFARMA SL (ES) 2011-05-25 EP disclosed
US-20100311703-A1 NEW COMPOUNDS AS ADENOSINE A1 RECEPTOR ANTAGONISTS PALOBIOFARMA, S.L. (ES) 2010-12-09 US disclosed
EP-2197860-A1 NEW COMPOUNDS AS ADENOSINE A1 RECEPTOR ANTAGONISTS Palobiofarma, S.L. (ES) 2010-06-23 EP disclosed
WO-2009044250-A1 NEW COMPOUNDS AS ADENOSINE A1 RECEPTOR ANTAGONISTS PALOBIOFARMA, S.L. (ES) 2009-04-09 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-20100311703-A1 NEW COMPOUNDS AS ADENOSINE A1 RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 ADORA2A 2/4885RAB9A 2107/4885LMNA 2389/4885

“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.