SCHEMBL10162476

SCHEMBL10162476

CCc1ccc(-c2nnn(C)n2)s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
KMT2A Q03164 2/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
EPHX2 P34913 1/20 0.32
HSF1 Q00613 1/20 0.32
GRIN2B Q13224 2/20 0.32
GRIN1 Q05586 1/20 0.32
PTGS2 P35354 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2E1 P05181 1/20 0.31

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
SCHEMBL10130594 0.83 NPC1 (0.33) PPARANPC1RAB9ATRPM8SMN1; SMN2
SCHEMBL13637128 0.79 HSF1 (0.38) PPARANPC1RAB9ATRPM8SMN1; SMN2
SCHEMBL24849847 0.77 ABCG2 (0.47) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL8212044 0.76 ALDH1A1 (0.40) PPARANPC1RAB9AKMT2ATRPM8
SCHEMBL2898484 0.76 EPHX2 (0.36) PPARANPC1RAB9AKMT2ATRPM8
SCHEMBL6156434 0.71 EPHX2 (0.33) PPARATRPM8EPHX2
SCHEMBL13621245 0.71 DPP4 (0.41) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL14455880 0.71 KMT2A (0.41) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL14455882 0.71 KMT2A (0.41) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL12763644 0.70 SMN1; SMN2 (0.38) NPC1RAB9AKMT2AMEN1SMN1; 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 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-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
WO-2008061189-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2008-05-22 WO disclosed
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-01-31 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-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-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 PPARA 1554/4885NPC1 387/4885RAB9A 2564/4885
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 PPARA 1554/4885NPC1 387/4885RAB9A 2564/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 PPARA 1554/4885NPC1 387/4885RAB9A 2564/4885
US-20070232554-A1 3,6-Bridged 9,12-oxolides CYP2C9, CYP2C19, CYP2D6 PPARA 2909/4885NPC1 735/4885RAB9A 730/4885
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES HDAC6, SI, HDAC3 PPARA 1037/4885NPC1 53/4885RAB9A 1263/4885
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 PPARA 1554/4885NPC1 387/4885RAB9A 2564/4885

“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.