SCHEMBL13629774

SCHEMBL13629774

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DHFR P00374 2/20 0.32
RAB9A P51151 3/20 0.32
KMT2A Q03164 3/20 0.32
PDE10A Q9Y233 1/20 0.31
MEN1 O00255 2/20 0.30
MAPT P10636 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
NPC1 O15118 1/20 0.30
TSHR P16473 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
SCHEMBL13615892 0.85 RAB9A (0.34) ALDH1A1HPGDHSD17B10DHFRRAB9A
SCHEMBL13622937 0.77 RAB9A (0.40) GAAPKMHPGDHSD17B10RAB9A
SCHEMBL13615834 0.76 CPB2 (0.35) RAB9AKMT2APDE10AMEN1MAPT
SCHEMBL13623572 0.74 CCR1 (0.50) ALDH1A1GAAHSD17B10RAB9AKMT2A
SCHEMBL12622290 0.74 ALDH1A1 (0.37) ALDH1A1USP2GAAPKMHPGD
SCHEMBL2677573 0.73 ALDH1A1 (0.46) ALDH1A1USP2GAAPKMHPGD
SCHEMBL13662701 0.72 ALDH1A1 (0.38) ALDH1A1USP2GAAPKMHPGD
SCHEMBL12533837 0.70 CYP11B1 (0.47) RAB9AKMT2AMEN1NPC1
SCHEMBL20390118 0.69 TSHR (0.39) ALDH1A1USP2GAAPKMHPGD
SCHEMBL13659751 0.69 NOS3 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20090281050-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES CYP8B1, SI, CYP51A1 ALDH1A1 677/4885USP2 4034/4885GAA 410/4885

“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.