SCHEMBL10130717

SCHEMBL10130717

CC(C)Cc1ccc(C(=O)Nc2ccccn2)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.60
RAB9A P51151 8/20 0.60
KMT2A Q03164 2/20 0.60
MITF O75030 1/20 0.60
SMN1; SMN2 Q16637 5/20 0.50
ALDH1A1 P00352 4/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
TP53 P04637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALOX15 P16050 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL10162883 0.85 NPC1 (0.64) NPC1RAB9AKMT2AMITFSMN1; SMN2
SCHEMBL10130729 0.80 NPC1 (0.54) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL10162524 0.78 NPC1 (0.69) NPC1RAB9AKMT2AMITFSMN1; SMN2
SCHEMBL20291470 0.75 NPC1 (1.00) NPC1RAB9AKMT2AMITFSMN1; SMN2
SCHEMBL12529296 0.75 NPC1 (0.64) NPC1RAB9AKMT2AMITFSMN1; SMN2
SCHEMBL13026623 0.75 LMNA (0.51) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL10130743 0.75 NPC1 (0.69) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL27779290 0.74 ALDH1A1 (0.56) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL20764226 0.74 NPC1 (0.60) NPC1RAB9AKMT2AMITFSMN1; SMN2
SCHEMBL22902647 0.73 NPC1 (0.66) NPC1RAB9AKMT2AMITFSMN1; SMN2

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 24 patents — showing the first 20. 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-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-7622452-B2 C-9 alkenylidine bridged macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-7589067-B2 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
US-7419962-B2 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2008-09-02 US disclosed
US-7407942-B2 3,6-bridged 9,12-oxolides EMATA PHARMACEUTICALS, INC (US) 2008-08-05 US disclosed
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-05-22 US disclosed
US-7312201-B2 Tetracyclic bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-12-25 US disclosed
US-7291602-B2 11,12-lactone bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-11-06 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-20070232554-A1 3,6-Bridged 9,12-oxolides ENATA PHARMACEUTICALS, INC. 2007-10-04 US disclosed
US-7273853-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 US disclosed
US-7229972-B2 Semisynthetic trimethylenedioxy-erythromycin derivatives and their use in treating bacterial infections and cystic fibrosis; preparation ENANTA PHARMACEUTICALS, INC. (US) 2007-06-12 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
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 (7 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 NPC1 387/4885RAB9A 2564/4885KMT2A 1162/4885
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 NPC1 387/4885RAB9A 2564/4885KMT2A 1162/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 NPC1 387/4885RAB9A 2564/4885KMT2A 1162/4885
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES CYP2C9, CCR9, DPP9 NPC1 77/4885RAB9A 94/4885KMT2A 3068/4885
US-20070082853-A1 6, 11-bridged tricyclic macrolides CYP2B6, CYP2D6, ABCB11 NPC1 53/4885RAB9A 1907/4885KMT2A 3679/4885
US-20070232554-A1 3,6-Bridged 9,12-oxolides CYP2C9, CYP2C19, CYP2D6 NPC1 735/4885RAB9A 730/4885KMT2A 4217/4885
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 NPC1 387/4885RAB9A 2564/4885KMT2A 1162/4885

“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.