SCHEMBL13622940

SCHEMBL13622940

CCc1ccc(-c2nc(N)cs2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.58
NPC1 O15118 6/20 0.58
POLB P06746 1/20 0.58
GAA P10253 1/20 0.58
SMN1; SMN2 Q16637 6/20 0.47
TLR7 Q9NYK1 1/20 0.45
LMNA P02545 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 3/20 0.42
LTA4H P09960 1/20 0.39
KDM4E B2RXH2 3/20 0.39
GFER P55789 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TP53 P04637 2/20 0.38
CDC25A P30304 1/20 0.38
CDC25B P30305 1/20 0.38
SREBF2 Q12772 3/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL9831572 0.81 SMN1; SMN2 (0.56) RAB9ANPC1POLBGAASMN1; SMN2
SCHEMBL13615822 0.81 XDH (0.44) RAB9ANPC1POLBGAAMEN1
SCHEMBL20390901 0.80 CYP19A1 (0.47) RAB9ANPC1POLBGAASMN1; SMN2
SCHEMBL23328877 0.79 RAB9A (0.60) RAB9ANPC1POLBGAASMN1; SMN2
SCHEMBL4359059 0.79 IDO1 (0.47)
SCHEMBL22221787 0.79 RAB9A (0.69) RAB9ANPC1POLBGAASMN1; SMN2
SCHEMBL13622937 0.78 RAB9A (0.40) RAB9ANPC1POLBGAASMN1; SMN2
SCHEMBL13629649 0.78 SREBF2 (0.42) RAB9ANPC1POLBGAASMN1; SMN2
SCHEMBL20390377 0.77 GFER (0.37) RAB9ANPC1POLBGAASMN1; SMN2
SCHEMBL20390848 0.77 GFER (0.37) RAB9ANPC1POLBGAASMN1; 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 4 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
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 679/4885POLB 1954/4885
US-20090281050-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES CYP8B1, SI, CYP51A1 RAB9A 157/4885NPC1 679/4885POLB 1954/4885

“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.