SCHEMBL4768334

SCHEMBL4768334

COC(=O)Cc1cccc(-c2ccccn2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53
FFAR1 O14842 1/20 0.52
PKM P14618 2/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
HPGD P15428 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSS P25774 1/20 0.49
SYK P43405 1/20 0.49
CFD P00746 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
LMNA P02545 1/20 0.46
SLC7A5 Q01650 1/20 0.46

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
SCHEMBL12869882 0.84 LMNA (0.55) KDM4EALDH1A1APOBEC3GPKMRAB9A
SCHEMBL4688780 0.82 FFAR1 (0.60) KDM4EFFAR1CTSLCTSBCTSS
SCHEMBL7714918 0.82 FFAR1 (0.48) KDM4EALDH1A1APOBEC3GFFAR1HPGD
SCHEMBL7463211 0.81 FFAR1 (0.50) FFAR1CTSLCTSBCTSSHRH3
SCHEMBL7408937 0.81 FFAR1 (0.49) KDM4EFFAR1CTSLCTSBCTSS
SCHEMBL1929079 0.81 SLC7A5 (0.57) KDM4EALDH1A1PKMRAB9ANPC1
SCHEMBL20200086 0.80 FFAR1 (0.54) KDM4EFFAR1RAB9ACTSLCTSB
SCHEMBL3357160 0.79 SLC7A5 (0.56) KDM4EALDH1A1PKMRAB9ANPC1
SCHEMBL10242894 0.79 CYP4F2 (0.50) KDM4EALDH1A1FFAR1CTSLCTSB
SCHEMBL16595264 0.79 FFAR1 (0.57) FFAR1CTSLCTSBCTSSHRH3

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320370-A4 METHOD OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
CN-1171870-C Cysteine protease inhibitors ʷ��˿�������ȳ�ķ���޹�˾ 2004-10-20 CN disclosed
US-20040180927-A1 Inhibitors of cysteine protease SMITHKLINE BEECHAM CORPORATION 2004-09-16 US disclosed
EP-1067894-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-09-08 EP disclosed
EP-0936912-B1 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORP (US) 2004-02-11 EP disclosed
EP-1320370-A1 METHOD OF TREATMENT SmithKline Beecham Corporation (US) 2003-06-25 EP disclosed
US-20030044399-A1 Method of treatment SMITHKLINE BEECHAM CORPORATION 2003-03-06 US disclosed
US-6518267-B1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-02-11 US disclosed
EP-1019046-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM (US) 2002-11-27 EP disclosed
US-20020156018-A1 Treatment of parasitic diseases by inhibition of cysteine proteases of the papain superfamily THOMPSON SCOTT KEVIN (US) 2002-10-24 US disclosed
EP-1067894-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-01-17 EP disclosed
EP-1068304-A1 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORPORATION (US) 2001-01-17 EP disclosed
EP-1019046-A1 PROTEASE INHIBITORS Smithkline Beecham (US) 2000-07-19 EP disclosed
CN-1255119-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 2000-05-31 CN disclosed
EP-0983228-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-03-08 EP disclosed
WO-1999059570-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-25 WO disclosed
WO-1999059526-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-25 WO disclosed
WO-1999053039-A1 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORPORATION (US) 1999-10-21 WO disclosed
WO-1998050342-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-12 WO disclosed
WO-1998048799-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-05 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-20040180927-A1 Inhibitors of cysteine protease CTSK, CTSZ, CTSS KDM4E 2886/4885ALDH1A1 1682/4885APOBEC3G 3570/4885
US-20030044399-A1 Method of treatment DNPEP, PEPD, ANPEP KDM4E 956/4885ALDH1A1 1483/4885APOBEC3G 1204/4885
US-20020156018-A1 Treatment of parasitic diseases by inhibition of cysteine proteases of the papain superfamily PEPD, PREP, CPN1 KDM4E 4379/4885ALDH1A1 1725/4885APOBEC3G 1384/4885

“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.