SCHEMBL13615892

SCHEMBL13615892

CC(C)c1ccc(-c2nc(N)cs2)nc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
PDE10A Q9Y233 1/20 0.34
SCN4A P35499 1/20 0.33
HPGDS O60760 2/20 0.32
MAPT P10636 3/20 0.32
PAX8 Q06710 1/20 0.32
NOD2 Q9HC29 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHRNA7 P36544 1/20 0.32
CDC25A P30304 1/20 0.31
CDC25B P30305 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GFER P55789 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL13629774 0.85 ALDH1A1 (0.35) RAB9ANPC1HPGDPDE10AMAPT
SCHEMBL13623572 0.79 CCR1 (0.50) RAB9ANPC1SMN1; SMN2KDM4EPDE10A
SCHEMBL13615834 0.78 CPB2 (0.35) RAB9APDE10AMAPTCDC25ACDC25B
SCHEMBL9830921 0.77 RAB9A (0.53) RAB9ANPC1SMN1; SMN2KDM4EHPGD
SCHEMBL13659751 0.76 NOS3 (0.33)
SCHEMBL13659766 0.75 ADORA3 (0.41) RAB9ANPC1SMN1; SMN2KDM4EHPGD
SCHEMBL13622937 0.75 RAB9A (0.40) RAB9ANPC1SMN1; SMN2KDM4EHPGD
SCHEMBL12680214 0.73 KDM4E (0.61) RAB9ANPC1SMN1; SMN2KDM4EHPGD
SCHEMBL13602061 0.73 CCR1 (0.46) RAB9ANPC1SMN1; SMN2MAPTCHRNA7
SCHEMBL12680211 0.72 RAB9A (0.42) RAB9AKDM4ECYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140187780-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2014-07-03 US disclosed
US-20130165641-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2013-06-27 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-8354383-B2 6,11-bridged biaryl macrolides ENANTA PHARMACEUTICALS, INC. (US) 2013-01-15 US disclosed
US-20090281050-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. 2009-11-12 US disclosed
US-20090264380-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20090118506-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. 2009-05-07 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 (5 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-20130165641-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 RAB9A 1422/4885NPC1 96/4885SMN1; SMN2 3161/4885
US-20140187780-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 RAB9A 1422/4885NPC1 96/4885SMN1; SMN2 3161/4885
US-20090118506-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 RAB9A 1271/4885NPC1 90/4885SMN1; SMN2 3004/4885
US-20090281050-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES CYP8B1, SI, CYP51A1 RAB9A 157/4885NPC1 679/4885SMN1; SMN2 4164/4885
US-20090264380-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 RAB9A 1422/4885NPC1 96/4885SMN1; SMN2 3161/4885

“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.