SCHEMBL10130883

SCHEMBL10130883

CC(C)Cc1ccc(-c2cccc(N)n2)nc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 4/20 0.43
NOS3 P29474 5/20 0.42
NOS1 P29475 4/20 0.42
BRS3 P32247 1/20 0.39
ASIC3 Q9UHC3 1/20 0.39
CPB2 Q96IY4 2/20 0.37
XDH P47989 1/20 0.36
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
NOS2 P35228 2/20 0.34
MCHR1 Q99705 1/20 0.34
ALOX5AP P20292 2/20 0.34
FEN1 P39748 2/20 0.34
LARS1 Q9P2J5 1/20 0.34

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
SCHEMBL10161832 0.83 NPC1 (0.42) IDH1NOS3NOS1BRS3ASIC3
SCHEMBL25636541 0.82 CCR1 (0.41) CPB2S1PR1S1PR3
SCHEMBL13514037 0.80 SMN1; SMN2 (0.49) NOS3NOS1BRS3ASIC3
SCHEMBL14399308 0.80 ASIC3 (0.42) IDH1NOS3NOS1BRS3ASIC3
SCHEMBL14399210 0.79 ASIC3 (0.39) IDH1NOS3NOS1BRS3ASIC3
SCHEMBL10130824 0.78 KDM4E (0.48) ALOX5AP
SCHEMBL5323447 0.77 ASIC3 (0.40) NOS3NOS1BRS3ASIC3NOS2
SCHEMBL12680213 0.76 ASIC3 (0.42) IDH1NOS3NOS1BRS3ASIC3
SCHEMBL13615803 0.76 IDH1 (0.49) IDH1NOS3NOS1ASIC3CPB2
SCHEMBL10130836 0.75 CPB2 (0.57) NOS3CPB2XDHNOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-05-15 US disclosed
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN (US) 2012-02-09 US disclosed
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2009-12-31 US disclosed
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2009-12-31 US disclosed
US-7589067-B2 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
US-7589067-B2 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2008-02-14 US disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 US disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 US disclosed
US-7273853-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 US disclosed
US-7273853-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 US disclosed
US-20070082853-A1 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICAL, INC. 2007-04-12 US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 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 (6 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-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES AKR1C2, AKR1C3, AKR1C1 IDH1 315/4885NOS3 1409/4885NOS1 1244/4885
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 IDH1 315/4885NOS3 1409/4885NOS1 1244/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 IDH1 315/4885NOS3 1409/4885NOS1 1244/4885
US-20070082853-A1 6, 11-bridged tricyclic macrolides CYP2B6, CYP2D6, ABCB11 IDH1 1249/4885NOS3 2072/4885NOS1 2008/4885
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ABCB11, ABCB1, CYP2B6 IDH1 757/4885NOS3 735/4885NOS1 2014/4885
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 IDH1 315/4885NOS3 1409/4885NOS1 1244/4885

“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.