SCHEMBL13615803

SCHEMBL13615803

CC(C)Cc1cccc(-c2cccc(N)n2)n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 4/20 0.49
ASIC3 Q9UHC3 1/20 0.44
NOS1 P29475 7/20 0.43
NOS3 P29474 6/20 0.43
NOS2 P35228 6/20 0.43
LARS1 Q9P2J5 1/20 0.37
CPB2 Q96IY4 1/20 0.37
TLR7 Q9NYK1 1/20 0.36
TRPV3 Q8NET8 1/20 0.36
APP P05067 1/20 0.35
BACE1 P56817 1/20 0.35
XIAP P98170 1/20 0.35
BIRC2 Q13490 1/20 0.35
MCHR1 Q99705 1/20 0.35

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
SCHEMBL10130655 0.89 NOS2 (0.53) IDH1NOS1NOS3NOS2CPB2
SCHEMBL13623090 0.79 ASIC3 (0.48) IDH1ASIC3NOS1NOS3NOS2
SCHEMBL3625374 0.78 GABRA1 (0.44) NOS1NOS3NOS2TLR7
SCHEMBL13615821 0.78 IDH1 (0.43) IDH1ASIC3NOS1NOS3NOS2
SCHEMBL13615819 0.78 IDH1 (0.46) IDH1ASIC3NOS1NOS3NOS2
SCHEMBL20402654 0.77 KDM4E (0.57)
SCHEMBL17615254 0.76 NOS1 (0.46) IDH1ASIC3NOS1NOS3NOS2
SCHEMBL3855209 0.76 TRPV3 (0.54) ASIC3TRPV3
SCHEMBL26788249 0.76 TLR7 (0.32) NOS1NOS3NOS2TLR7TRPV3
SCHEMBL10130883 0.76 IDH1 (0.43) IDH1ASIC3NOS1NOS3NOS2

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-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
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

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 1333/4885ASIC3 1928/4885NOS1 3084/4885
US-20090281050-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES CYP8B1, SI, CYP51A1 IDH1 1333/4885ASIC3 1928/4885NOS1 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.