SCHEMBL926317

SCHEMBL926317

CC(=O)Nc1cccc(-c2sc(C)nc2[C]=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.51
SMN1; SMN2 Q16637 5/20 0.50
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
KDM4E B2RXH2 4/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 3/20 0.50
POLB P06746 3/20 0.50
MAPT P10636 3/20 0.50
GAA P10253 1/20 0.50
PKM P14618 1/20 0.50
TP53 P04637 3/20 0.47
HSD17B10 Q99714 2/20 0.47
HPGD P15428 1/20 0.47
LDHA P00338 1/20 0.47
CHEK1 O14757 1/20 0.46
FGFR1 P11362 1/20 0.46
NEK2 P51955 1/20 0.46
MAPK15 Q8TD08 1/20 0.46

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
SCHEMBL12943445 0.84 NQO2 (0.56) NQO2SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL923671 0.81 NQO2 (0.56) NQO2SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL923721 0.79 NQO2 (0.50) NQO2SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL3249086 0.73 NQO2 (0.44) NQO2SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL1764786 0.71 MAPT (0.70) SMN1; SMN2NPC1RAB9AKDM4EMEN1
SCHEMBL924957 0.71 LMNA (0.39) SMN1; SMN2NPC1MEN1KMT2AALDH1A1
SCHEMBL11228972 0.71 HSD17B10 (0.57) NQO2SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL12318239 0.69 NPC1 (0.62) NQO2SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL13680541 0.69 HSD17B10 (0.79) NQO2SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL15676760 0.69 SMN1; SMN2 (0.54) NQO2SMN1; SMN2NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288429-B2 2-aza-bicyclo[3.3.0]octane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 US disclosed
US-20110009461-A1 2-AZA-BICYCLO[3.3.0]OCTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2011-01-13 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-20110009461-A1 2-AZA-BICYCLO[3.3.0]OCTANE DERIVATIVES HCRTR2, HCRTR1, NPY2R NQO2 1959/4885SMN1; SMN2 3491/4885NPC1 763/4885

“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.