SCHEMBL1847893

SCHEMBL1847893

N#Cc1sc(NC(=O)C2CCCCC2C(=O)O)nc1-c1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
POLB P06746 2/20 0.47
CASP6 P55212 2/20 0.47
MEN1 O00255 1/20 0.47
CYP2C19 P33261 2/20 0.46
MAPK1 P28482 1/20 0.46
ADORA3 P0DMS8 2/20 0.46
GRM4 Q14833 1/20 0.45
ADORA2A P29274 1/20 0.45
GLA P06280 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
RAB9A P51151 3/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.43
USP2 O75604 1/20 0.43
NPC1 O15118 1/20 0.41
GRK2 P25098 1/20 0.41
CASP8 Q14790 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL3764517 1.00 KMT2A (0.47) KMT2APOLBCASP6MEN1CYP2C19
SCHEMBL1856230 1.00 KMT2A (0.47) KMT2APOLBCASP6MEN1CYP2C19
SCHEMBL3770633 1.00 KMT2A (0.47) KMT2APOLBCASP6MEN1CYP2C19
SCHEMBL1847892 1.00 KMT2A (0.47) KMT2APOLBCASP6MEN1CYP2C19
SCHEMBL1850220 0.89 ADORA2A (0.55) KMT2APOLBCASP6MEN1CYP2C19
SCHEMBL1849285 0.89 ADORA2A (0.55) KMT2APOLBCASP6MEN1CYP2C19
SCHEMBL1847119 0.88 ADORA3 (0.57) KMT2APOLBCASP6MEN1ADORA3
SCHEMBL3769403 0.88 ADORA3 (0.57) KMT2APOLBCASP6MEN1ADORA3
SCHEMBL3769488 0.88 ADORA3 (0.57) KMT2APOLBCASP6MEN1ADORA3
SCHEMBL1847117 0.88 ADORA3 (0.57) KMT2APOLBCASP6MEN1ADORA3

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 KMT2A 2955/4885POLB 1176/4885CASP6 4556/4885

“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.