SCHEMBL20296756

SCHEMBL20296756

COCC1CCCN1c1nc2cc(C(N)=O)ccc2s1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.42
ADORA1 P30542 11/20 0.42
CRHR1 P34998 1/20 0.42
SYK P43405 1/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC1 Q13547 1/20 0.41
KDM4E B2RXH2 1/20 0.39
PABPC1 P11940 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ADRA1A P35348 1/20 0.39
CYP1A2 P05177 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2B P29275 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL20296611 0.90 ADORA2A (0.40) ADORA2AADORA1KDM4EPABPC1CASP1
SCHEMBL18344192 0.84 ADORA2A (0.42) ADORA2AADORA1CRHR1KDM4ESMN1; SMN2
SCHEMBL23965741 0.79 RAB9A (0.46) ADORA2AADORA1CYP1A2SMN1; SMN2
SCHEMBL20296398 0.78 NPC1 (0.44) KDM4EPABPC1CASP1CASP7HSD17B10
SCHEMBL20296754 0.78 NPC1 (0.44) KDM4EPABPC1CASP1CASP7HSD17B10
SCHEMBL20296152 0.78 RAB9A (0.49) ADORA2AADORA1CRHR1SYKADRA1A
SCHEMBL21638128 0.78 SMN1; SMN2 (0.47) ADORA2AADORA1CRHR1CYP1A2SMN1; SMN2
SCHEMBL21638127 0.78 SMN1; SMN2 (0.47) ADORA2AADORA1CRHR1CYP1A2SMN1; SMN2
SCHEMBL29364773 0.77 CHRM5 (0.46) ADORA2AADORA1
SCHEMBL18344189 0.76 SYK (0.40) ADORA2AADORA1CRHR1SYKCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180179194-A1 NADPH OXIDASE 4 INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2018-06-28 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-20180179194-A1 NADPH OXIDASE 4 INHIBITORS NOX4, NOX1, CYBB ADORA2A 3834/4885ADORA1 3540/4885CRHR1 3677/4885

“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.