SCHEMBL1850864

SCHEMBL1850864

N#Cc1sc(NC(=O)C2CCCC(C(=O)O)C2)nc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.53
ADORA1 P30542 9/20 0.52
ADORA3 P0DMS8 7/20 0.49
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL1852017 1.00 ADORA2A (0.53) ADORA2AADORA1ADORA3ALDH1A1SMN1; SMN2
SCHEMBL12661727 1.00 ADORA2A (0.53) ADORA2AADORA1ADORA3ALDH1A1SMN1; SMN2
SCHEMBL1848345 1.00 ADORA2A (0.53) ADORA2AADORA1ADORA3ALDH1A1SMN1; SMN2
SCHEMBL1852019 1.00 ADORA2A (0.53) ADORA2AADORA1ADORA3ALDH1A1SMN1; SMN2
SCHEMBL1848341 1.00 ADORA2A (0.53) ADORA2AADORA1ADORA3ALDH1A1SMN1; SMN2
SCHEMBL23837276 0.97 ADORA2A (0.56) ADORA2AADORA1ADORA3ALDH1A1SMN1; SMN2
SCHEMBL1847715 0.97 ADORA2A (0.56) ADORA2AADORA1ADORA3ALDH1A1SMN1; SMN2
SCHEMBL1848773 0.97 ADORA2A (0.56) ADORA2AADORA1ADORA3ALDH1A1SMN1; SMN2
SCHEMBL21628114 0.97 ADORA2A (0.56) ADORA2AADORA1ADORA3ALDH1A1SMN1; SMN2
SCHEMBL23839858 0.97 ADORA2A (0.56) ADORA2AADORA1ADORA3ALDH1A1SMN1; SMN2

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 2/4885ADORA1 1/4885ADORA3 3/4885

“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.