SCHEMBL13615819

SCHEMBL13615819

CC(C)Cc1csc(-c2cccc(N)n2)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 4/20 0.46
NOS3 P29474 4/20 0.39
NOS1 P29475 3/20 0.39
ASIC3 Q9UHC3 1/20 0.38
NOS2 P35228 2/20 0.37
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
CSNK2A3 Q8NEV1 1/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
LARS1 Q9P2J5 1/20 0.33
SLC6A3 Q01959 1/20 0.33
NPC1 O15118 1/20 0.33
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL12681430 0.83 ASIC3 (0.41) IDH1NOS3NOS1ASIC3NOS2
SCHEMBL13615803 0.78 IDH1 (0.49) IDH1NOS3NOS1ASIC3NOS2
SCHEMBL12862618 0.78 PDE10A (0.58) RAB9AKDM4ELMNANPC1PDE10A
SCHEMBL4315196 0.78 ASIC3 (0.39) IDH1ASIC3RAB9AKDM4ELMNA
SCHEMBL6415541 0.77 ALDH1A1 (0.44) NOS3NOS1NOS2CSNK2A2CSNK2B
SCHEMBL17809500 0.77 KDM4E (0.55) RAB9AKDM4ELMNASLC6A3NPC1
SCHEMBL12680082 0.77 IDH1 (0.42) IDH1NOS3NOS1ASIC3NOS2
SCHEMBL12681395 0.74 PDE10A (0.57) IDH1NOS3NOS1ASIC3NOS2
SCHEMBL13722749 0.74 IDH1 (0.41) IDH1NOS3NOS1ASIC3NOS2
SCHEMBL10130655 0.73 NOS2 (0.53) IDH1NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231298-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. (US) 2013-09-05 US disclosed
US-8383785-B2 Anti-bacterial activity of 9-hydroxy derivatives of 6,11-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2013-02-26 US disclosed
US-8383785-B2 Anti-bacterial activity of 9-hydroxy derivatives of 6,11-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2013-02-26 US disclosed
WO-2009137737-A2 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6, 11-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed
US-20090281050-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. 2009-11-12 US disclosed
US-20090281050-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. 2009-11-12 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 (2 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-20130231298-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES CYP8B1, SI, CYP51A1 IDH1 1333/4885NOS3 2927/4885NOS1 3084/4885
US-20090281050-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES CYP8B1, SI, CYP51A1 IDH1 1333/4885NOS3 2927/4885NOS1 3084/4885

“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.