SCHEMBL5637618

SCHEMBL5637618

c1ccc2sc([C]3CCCC3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.53
NPC1 O15118 13/20 0.53
KDM4E B2RXH2 9/20 0.53
SMN1; SMN2 Q16637 7/20 0.53
ALDH1A1 P00352 6/20 0.53
TP53 P04637 2/20 0.53
HSD17B10 Q99714 2/20 0.53
TSHR P16473 1/20 0.53
MAPT P10636 8/20 0.51
KMT2A Q03164 5/20 0.51
L3MBTL1 Q9Y468 4/20 0.51
GAA P10253 4/20 0.51
MEN1 O00255 4/20 0.51
GLA P06280 2/20 0.51
APP P05067 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
LMNA P02545 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
NPSR1 Q6W5P4 3/20 0.50

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
SCHEMBL19279180 0.98 RAB9A (0.51) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL9533462 0.92 RAB9A (0.56) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL827403 0.81 RAB9A (0.67) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
Hydrogen Sulfide SCHEMBL16859912 0.79 RAB9A (0.64) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL12879460 0.78 DRD4 (0.51) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL29474819 0.75 RAB9A (0.81) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL9228500 0.75 APP (0.63) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL366824 0.75 RAB9A (0.81) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL231307 0.75 KDM4E (0.75) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL9993263 0.74 RAB9A (0.48) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1

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-7282512-B2 Cycloalkyl ketoamides derivatives useful as cathepsin K inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-10-16 US claimed
US-20050054819-A1 Cycloalkyl ketoamides derivatives useful as cathepsin k inhibitors SMITHKLINE BEECHAM CORPORATION 2005-03-10 US claimed
EP-1465862-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS SmithKline Beecham Corporation (US) 2004-10-13 EP claimed
WO-2003062192-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-07-31 WO claimed

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-20050054819-A1 Cycloalkyl ketoamides derivatives useful as cathepsin k inhibitors CTSK, CTSS, CTSE RAB9A 1828/4885NPC1 504/4885KDM4E 466/4885

“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.