SCHEMBL13615834

SCHEMBL13615834

CC(C)Cc1ccc(-c2nc(N)cs2)nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 4/20 0.35
XDH P47989 1/20 0.35
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
CDC25A P30304 1/20 0.32
CDC25B P30305 1/20 0.32
PDE10A Q9Y233 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
CPA1 P15085 2/20 0.31
ABL1 P00519 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
ALOX5AP P20292 2/20 0.31
FEN1 P39748 2/20 0.31
CPB1 P15086 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 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
SCHEMBL13622937 0.84 RAB9A (0.40) CDC25ACDC25BPDE10AMEN1MAPT
SCHEMBL13615822 0.80 XDH (0.44) XDHS1PR1S1PR3CDC25ACDC25B
SCHEMBL4305570 0.78 IDO1 (0.33) CDC25ACDC25BMEN1MAPTRAB9A
SCHEMBL13615892 0.78 RAB9A (0.34) CDC25ACDC25BPDE10AMEN1MAPT
SCHEMBL13629774 0.76 ALDH1A1 (0.35) PDE10AMEN1MAPTRAB9AKMT2A
SCHEMBL25636541 0.76 CCR1 (0.41) CPB2S1PR1S1PR3GABRA1GABRB2
SCHEMBL10130897 0.75 KDM4E (0.45) MEN1MAPTRAB9AKMT2A
SCHEMBL13623572 0.75 CCR1 (0.50) CDC25ACDC25BPDE10AMEN1MAPT
SCHEMBL10130831 0.75 ADRB2 (0.43) S1PR1S1PR3RAB9A
SCHEMBL10130921 0.74 S1PR1 (0.33) S1PR1S1PR3

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 3 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
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 CPB2 885/4885XDH 773/4885S1PR1 2443/4885
US-20090281050-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES CYP8B1, SI, CYP51A1 CPB2 885/4885XDH 773/4885S1PR1 2443/4885

“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.