SCHEMBL13622937

SCHEMBL13622937

CCc1ccc(-c2nc(N)cs2)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.40
NPC1 O15118 6/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
KDM4E B2RXH2 2/20 0.35
PDE10A Q9Y233 1/20 0.34
TP53 P04637 2/20 0.34
CDC25A P30304 1/20 0.34
CDC25B P30305 1/20 0.34
PKM P14618 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL13615834 0.84 CPB2 (0.35) RAB9AMEN1KMT2AMAPTNOS3
SCHEMBL4305570 0.82 IDO1 (0.33) RAB9AMEN1KMT2AMAPTCDC25A
SCHEMBL13623572 0.79 CCR1 (0.50) RAB9ANPC1SMN1; SMN2GAAMEN1
SCHEMBL13622940 0.78 RAB9A (0.58) RAB9ANPC1SMN1; SMN2POLBGAA
SCHEMBL13629774 0.77 ALDH1A1 (0.35) RAB9ANPC1GAAMEN1KMT2A
SCHEMBL20390802 0.76 SREBF2 (0.34) RAB9AMEN1KMT2AMAPTNOS3
SCHEMBL20391072 0.75 ADORA3 (0.45) RAB9ANPC1SMN1; SMN2NOS3NOS1
SCHEMBL13615892 0.75 RAB9A (0.34) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL10160863 0.73 KDM4E (0.49) RAB9ANPC1SMN1; SMN2GAAMAPT
SCHEMBL7563886 0.73 RAB9A (0.56) RAB9ANPC1SMN1; SMN2POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203435-B1 6, 11-BRIDGED BIARYL MACROLIDES ENANTA PHARM INC (US) 2018-07-18 EP disclosed
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
WO-2009137737-A2 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6, 11-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. (US) 2009-11-12 WO 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 RAB9A 157/4885NPC1 679/4885SMN1; SMN2 4164/4885
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

“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.