SCHEMBL5520643

SCHEMBL5520643

N#CCNC(=O)C(CNC(=O)c1cccc([N+](=O)[O-])c1)C1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.57
ATM Q13315 1/20 0.51
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RAB9A P51151 1/20 0.45
CTSL P07711 2/20 0.45
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KCNH2 Q12809 1/20 0.44
TP53 P04637 1/20 0.43

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
SCHEMBL5534377 0.86 CTSL (0.49) HPGDSMN1; SMN2RAB9ACTSLCTSB
SCHEMBL5528527 0.85 CTSL (0.48) ALDH1A1LMNACTSLCTSBCTSS
SCHEMBL7562354 0.85 CTSL (0.48) HPGDSMN1; SMN2RAB9ACTSLCTSB
SCHEMBL5526266 0.85 CTSL (0.53) POLBATMHPGDLMNARAB9A
SCHEMBL5525342 0.84 CTSL (0.60) ALDH1A1SMN1; SMN2LMNARAB9ACTSL
SCHEMBL6592939 0.84 CTSL (0.47) ALDH1A1HPGDSMN1; SMN2RAB9ACTSL
SCHEMBL5520691 0.84 CTSL (0.50) ALDH1A1LMNACTSLCTSBCTSS
SCHEMBL5522783 0.84 CTSL (0.53) L3MBTL1RAB9ACTSLCTSBCTSS
SCHEMBL5522994 0.84 CTSL (0.47) HPGDSMN1; SMN2RAB9ACTSLCTSB
SCHEMBL7567924 0.84 CTSL (0.54) HPGDCTSLCTSBCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2007-01-18 US disclosed
US-20040147745-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-07-29 US disclosed
EP-1178958-B1 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2004-02-18 EP disclosed
US-20030096796-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-05-22 US disclosed
US-6455502-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-09-24 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-20030096796-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 POLB 3192/4885ATM 3200/4885ALDH1A1 4049/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 POLB 3192/4885ATM 3200/4885ALDH1A1 4049/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 POLB 3192/4885ATM 3200/4885ALDH1A1 4049/4885

“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.