SCHEMBL5457842

SCHEMBL5457842

CCC(N)[C@H](O)c1nnc(-c2ccccc2)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.50
HTT P42858 3/20 0.50
ALDH1A1 P00352 3/20 0.50
GAA P10253 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HPGD P15428 7/20 0.49
NPC1 O15118 7/20 0.48
RAB9A P51151 7/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 2/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
NOTUM Q6P988 3/20 0.44

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
SCHEMBL3621026 1.00 SMN1; SMN2 (0.50) SMN1; SMN2HTTALDH1A1GAAMEN1
SCHEMBL3621024 1.00 SMN1; SMN2 (0.50) SMN1; SMN2HTTALDH1A1GAAMEN1
SCHEMBL7562081 0.89 SMN1; SMN2 (0.51) SMN1; SMN2HTTALDH1A1GAAMEN1
SCHEMBL7562077 0.89 SMN1; SMN2 (0.51) SMN1; SMN2HTTALDH1A1GAAMEN1
Hydrochloric Acid SCHEMBL6681611 0.87 SMN1; SMN2 (0.50) SMN1; SMN2HTTALDH1A1GAAMEN1
SCHEMBL3623132 0.87 PKM (0.47) SMN1; SMN2HTTALDH1A1GAAMEN1
SCHEMBL3623134 0.87 PKM (0.47) SMN1; SMN2HTTALDH1A1GAAMEN1
SCHEMBL5387973 0.86 SMN1; SMN2 (0.49) SMN1; SMN2HTTALDH1A1GAAMEN1
SCHEMBL5946144 0.85 NPC1 (0.48) SMN1; SMN2HTTALDH1A1GAAKMT2A
SCHEMBL3622577 0.85 NPC1 (0.48) SMN1; SMN2HTTALDH1A1GAAKMT2A

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-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-11-29 US disclosed
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
US-7101880-B2 Peptidic compounds as cysteine protease inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2006-09-05 US disclosed
WO-2005074904-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-18 WO disclosed
US-20040127426-A1 Peptidic compounds as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. 2004-07-01 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 (3 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-20040127426-A1 Peptidic compounds as cysteine protease inhibitors CTSF, CTSB, CTSS SMN1; SMN2 4604/4885HTT 951/4885ALDH1A1 3804/4885
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors CTSF, CTSS, CTSE SMN1; SMN2 4865/4885HTT 939/4885ALDH1A1 1944/4885
US-20070088001-A1 Silinane compounds as cysteine protease inhibitors CTSV, CTSB, CTSS SMN1; SMN2 4338/4885HTT 1861/4885ALDH1A1 2087/4885

“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.