SCHEMBL1786973

SCHEMBL1786973

O=c1[nH]nc(-c2ccccc2)c2sccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.62
ATM Q13315 1/20 0.62
ADORA1 P30542 2/20 0.61
ADORA2A P29274 1/20 0.61
ADORA3 P0DMS8 1/20 0.49
KDM4E B2RXH2 6/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ROCK1 Q13464 7/20 0.45
ALDH1A1 P00352 5/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TP53 P04637 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 3/20 0.43
GAA P10253 3/20 0.43
ALPL P05186 1/20 0.43
IDO1 P14902 1/20 0.43
TTK P33981 1/20 0.43
MAPK10 P53779 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
SCHEMBL580124 0.89 NPSR1 (0.59) NPSR1ATMADORA1ADORA2AADORA3
SCHEMBL14911562 0.86 ADORA1 (0.64) NPSR1ATMADORA1ADORA2AADORA3
SCHEMBL24793414 0.83 ADORA2A (0.53) NPSR1ATMADORA1ADORA2AKDM4E
SCHEMBL23461929 0.83 ADORA2A (0.53) NPSR1ATMADORA1ADORA2AADORA3
SCHEMBL3606480 0.81 ADORA2A (0.55) ADORA1ADORA2AKDM4ESMN1; SMN2ROCK1
SCHEMBL24793413 0.80 ADORA2A (0.50) NPSR1ATMADORA1ADORA2AMEN1
SCHEMBL8553615 0.79 ADORA1 (0.60) NPSR1ATMADORA1ADORA2AKDM4E
Trifluoroacetic Acid SCHEMBL16046239 0.79 ADORA2A (0.52) NPSR1ATMADORA1ADORA2AROCK1
SCHEMBL581143 0.77 NPSR1 (1.00) NPSR1ATMKDM4ESMN1; SMN2ROCK1
SCHEMBL29870198 0.77 NPSR1 (1.00) NPSR1ATMKDM4ESMN1; SMN2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629143-B2 Potassium channel modulators ABBVIE INC. (US) 2014-01-14 US disclosed
EP-2504317-A1 POTASSIUM CHANNEL MODULATORS Abbott Laboratories (US) 2012-10-03 EP disclosed
WO-2011066168-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-06-03 WO disclosed
US-20110124642-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-05-26 US 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-20110124642-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNQ3 NPSR1 505/4885ATM 3548/4885ADORA1 403/4885

“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.