SCHEMBL5523795

SCHEMBL5523795

CCC[C@H](N)C(O)c1nc2ccccc2o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSF1 Q00613 5/20 0.41
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 3/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
F2 P00734 1/20 0.37
MIF P14174 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36

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
SCHEMBL3877787 1.00 HSF1 (0.41) HSF1NPC1RAB9AL3MBTL1MAPT
SCHEMBL3877784 1.00 HSF1 (0.41) HSF1NPC1RAB9AL3MBTL1MAPT
SCHEMBL6462957 0.92 MAPT (0.41) HSF1NPC1RAB9AL3MBTL1MAPT
SCHEMBL6462954 0.92 MAPT (0.41) HSF1NPC1RAB9AL3MBTL1MAPT
SCHEMBL5424291 0.88 NPC1 (0.41) HSF1NPC1RAB9AL3MBTL1MAPT
SCHEMBL6465610 0.88 NPC1 (0.41) HSF1NPC1RAB9AL3MBTL1MAPT
SCHEMBL5422053 0.88 NPC1 (0.41) HSF1NPC1RAB9AL3MBTL1MAPT
Hydrochloric Acid SCHEMBL14974761 0.87 NPC1 (0.40) HSF1NPC1RAB9AL3MBTL1MAPT
Hydrochloric Acid SCHEMBL3618315 0.87 NPC1 (0.40) HSF1NPC1RAB9AL3MBTL1MAPT
Hydrochloric Acid SCHEMBL3618312 0.87 NPC1 (0.40) HSF1NPC1RAB9AL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070088001-A1 Silinane compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2007-04-19 US disclosed
EP-1716158-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering Aktiengesellschaft (DE) 2006-11-02 EP disclosed
WO-2005074904-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-18 WO disclosed
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 US disclosed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP disclosed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 WO 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-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE HSF1 3094/4885NPC1 37/4885RAB9A 512/4885
US-20070088001-A1 Silinane compounds as cysteine protease inhibitors CTSV, CTSB, CTSS HSF1 1041/4885NPC1 689/4885RAB9A 1089/4885

“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.