SCHEMBL5387973

SCHEMBL5387973

CCCCC(N)C(O)c1nnc(-c2ccccc2)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.49
HTT P42858 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 8/20 0.45
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
TSHR P16473 2/20 0.41
FAAH O00519 1/20 0.41
CES1 P23141 1/20 0.41

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
Hydrochloric Acid SCHEMBL7559877 0.99 SMN1; SMN2 (0.48) SMN1; SMN2HTTMEN1KMT2AALDH1A1
SCHEMBL7562081 0.92 SMN1; SMN2 (0.51) SMN1; SMN2HTTMEN1KMT2AALDH1A1
SCHEMBL7562077 0.92 SMN1; SMN2 (0.51) SMN1; SMN2HTTMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL6681611 0.91 SMN1; SMN2 (0.50) SMN1; SMN2HTTMEN1KMT2AALDH1A1
SCHEMBL5384524 0.88 NPC1 (0.48) SMN1; SMN2HTTMEN1KMT2AALDH1A1
SCHEMBL5398496 0.87 NPC1 (0.44) SMN1; SMN2HTTKMT2AALDH1A1GAA
SCHEMBL3621026 0.86 SMN1; SMN2 (0.50) SMN1; SMN2HTTMEN1KMT2AALDH1A1
SCHEMBL3621024 0.86 SMN1; SMN2 (0.50) SMN1; SMN2HTTMEN1KMT2AALDH1A1
SCHEMBL5457842 0.86 SMN1; SMN2 (0.50) SMN1; SMN2HTTMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL6684592 0.80 GAA (0.47) SMN1; SMN2HTTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070203138-A1 Novel Compounds and Compositions as Cathepsin S Inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-08-30 US disclosed
US-20070203138-A1 Novel Compounds and Compositions as Cathepsin S Inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-08-30 US disclosed
US-20070203138-A1 Novel Compounds and Compositions as Cathepsin S Inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-08-30 US disclosed
US-7226921-B2 Compounds and compositions as cathepsin S inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-06-05 US disclosed
US-7226921-B2 Compounds and compositions as cathepsin S inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-06-05 US disclosed
US-7226921-B2 Compounds and compositions as cathepsin S inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-06-05 US disclosed
US-6977256-B2 Compounds and compositions as cathepsin S inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2005-12-20 US disclosed
US-20050267044-A1 Novel compounds and compositions as cathepsin S inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2005-12-01 US disclosed
EP-1446392-A1 OLIGOPEPTIDES AND COMPOSITIONS CONTAINING THEM AS CATHEPSIN S INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2004-08-18 EP disclosed
US-20030199506-A1 Novel compounds and compositions as cathepsin S inhibitors AXYS PHARMACEUTICALS INC. 2003-10-23 US disclosed
WO-2003042197-A1 OLIGOPEPTIDES AND COMPOSITIONS CONTAINING THEM AS CATHEPSIN S INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2003-05-22 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 (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-20050267044-A1 Novel compounds and compositions as cathepsin S inhibitors CTSS, CTSB, CTSE SMN1; SMN2 2868/4885HTT 1334/4885MEN1 4391/4885
US-20070203138-A1 Novel Compounds and Compositions as Cathepsin S Inhibitors CTSS, CTSB, CTSE SMN1; SMN2 2868/4885HTT 1334/4885MEN1 4391/4885
US-20030199506-A1 Novel compounds and compositions as cathepsin S inhibitors CTSS, CTSB, CTSE SMN1; SMN2 2629/4885HTT 1272/4885MEN1 4125/4885

“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.