SCHEMBL4820140

SCHEMBL4820140

Cc1noc(-c2cccs2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 16/20 0.64
RAB9A P51151 15/20 0.64
SMN1; SMN2 Q16637 8/20 0.64
ALDH1A1 P00352 5/20 0.64
MAPK1 P28482 4/20 0.64
TP53 P04637 3/20 0.64
NFKB1 P19838 3/20 0.64
NFKB2 Q00653 3/20 0.64
RELA Q04206 3/20 0.64
L3MBTL1 Q9Y468 3/20 0.64
LMNA P02545 1/20 0.64
TDP1 Q9NUW8 1/20 0.62
NPSR1 Q6W5P4 1/20 0.58
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
HSD17B10 Q99714 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL4552532 0.78 NPC1 (1.00) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL4820138 0.78 NPC1 (0.58) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL10162052 0.77 NPC1 (0.61) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL6979614 0.77 NPC1 (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL13930879 0.77 RAB9A (1.00) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL2522180 0.76 NPC1 (0.61) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL2459287 0.75 NPC1 (0.79) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL22854566 0.75 NPC1 (0.62) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL1544104 0.75 NPC1 (0.67) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL14397959 0.75 NPC1 (0.58) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402606-B2 Derivatives of 1-(oxoaminoacetyl) pentylcarbamate as cathepsin K inhibitors for the treatment of bone loss SMITHKLINE BEECHAM CORPORATION (US) 2008-07-22 US claimed
US-20050245596-A1 Derivatives of 1-(oxoaminoacetyl) pentylcarbamate as cathepsin k inhibitors for the treatment of bone loss SMITHKLINE BEECHAM CORPORATION 2005-11-03 US claimed
EP-3255044-B1 DIAZA-BENZOFLUORANTHRENE COMPOUNDS HARBIN PHARMACEUTICAL GROUP CO LTD GENERAL PHARMACEUTICAL FACTORY (CN) 2020-04-01 EP disclosed
US-10017507-B2 Diaza-benzofluoranthrene compounds HARBIN PHARMACEUTICAL GROUP CO., LTD. GENERAL PHARMACEUTICAL FACTORY (CN) 2018-07-10 US disclosed
US-10017507-B2 Diaza-benzofluoranthrene compounds HARBIN PHARMACEUTICAL GROUP CO., LTD. GENERAL PHARMACEUTICAL FACTORY (CN) 2018-07-10 US disclosed
US-20180016270-A1 DIAZA-BENZOFLUORANTHRENE COMPOUNDS HARBIN PHARMACEUTICAL GROUP CO., LTD. GENERAL PHARMACEUTICAL FACTORY (CN) 2018-01-18 US disclosed
US-20180016270-A1 DIAZA-BENZOFLUORANTHRENE COMPOUNDS HARBIN PHARMACEUTICAL GROUP CO., LTD. GENERAL PHARMACEUTICAL FACTORY (CN) 2018-01-18 US disclosed
WO-2013024427-A1 NOVEL UREA DERIVATIVES AS TEC KINASE INHIBITORS AND USES THEREOF GLENMARK PHARMACEUTICALS S.A. (CH) 2013-02-21 WO disclosed
US-8183276-B2 Therapeutic agents MERCK SHARP & DOHME CORP. 2012-05-22 US disclosed
US-20100324029-A1 THERAPEUTIC AGENTS MERCK SHARP & DOHME CORP. 2010-12-23 US disclosed
US-20100099672-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-04-22 US disclosed
US-7402606-B2 Derivatives of 1-(oxoaminoacetyl) pentylcarbamate as cathepsin K inhibitors for the treatment of bone loss SMITHKLINE BEECHAM CORPORATION (US) 2008-07-22 US disclosed
EP-1615904-B1 SUBSTITUTED BENZOSULPHONAMIDES AS POTENTIATORS OF GLUTAMATE RECEPTORS ASTRAZENECA AB (SE) 2008-02-27 EP disclosed
US-20070021606-A1 Therapeutic compounds ASTRAZENECA AB (SE) 2007-01-25 US disclosed
US-20070021606-A1 Therapeutic compounds ASTRAZENECA AB (SE) 2007-01-25 US disclosed
US-20050245596-A1 Derivatives of 1-(oxoaminoacetyl) pentylcarbamate as cathepsin k inhibitors for the treatment of bone loss SMITHKLINE BEECHAM CORPORATION 2005-11-03 US disclosed
EP-1494663-A1 DERIVATIVES OF 1-(OXOAMINOACETYL) PENTYLCARBAMATE AS CATHEPSIN K INHIBITORS FOR THE TREATMENT OF BONE LOSS SmithKline Beecham Corporation (US) 2005-01-12 EP disclosed
WO-2004092135-A2 SUBSTITUTED BENZOSULPHONAMIDE AS POTENTIATORS OF GLUTAMATE RECEPTORS ASTRAZENECA (SE) 2004-10-28 WO disclosed
WO-2004002491-A1 MORPHOLINE AND TETRAHYDROPYRAN DRIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2004-01-08 WO disclosed
WO-2003086385-A1 DERIVATIVES OF 1-(OXOAMINOACETYL) PENTYLCARBAMATE AS CATHEPSIN K INHIBITORS FOR THE TREATMENT OF BONE LOSS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-23 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 (6 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-20180016270-A1 DIAZA-BENZOFLUORANTHRENE COMPOUNDS DDT, CYP3A43, CYP19A1 NPC1 1635/4885RAB9A 2161/4885SMN1; SMN2 2387/4885
US-20100099672-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS NPC1 291/4885RAB9A 3935/4885SMN1; SMN2 4442/4885
US-20070021606-A1 Therapeutic compounds GRIN1, GRIN3A, GRM2 NPC1 740/4885RAB9A 2201/4885SMN1; SMN2 2089/4885
US-20100324029-A1 THERAPEUTIC AGENTS PSEN2, PSEN1, BACE2 NPC1 144/4885RAB9A 2575/4885SMN1; SMN2 233/4885
US-20050245596-A1 Derivatives of 1-(oxoaminoacetyl) pentylcarbamate as cathepsin k inhibitors for the treatment of bone loss CTSK, CTSB, CTSD NPC1 1181/4885RAB9A 1430/4885SMN1; SMN2 4728/4885
US-10017507-B2 Diaza-benzofluoranthrene compounds DDT, CYP3A43, CYP19A1 NPC1 1635/4885RAB9A 2161/4885SMN1; SMN2 2387/4885

“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.