SCHEMBL1509833

SCHEMBL1509833

O=C(Cl)c1cccc2c1Nc1ccccc1S2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 6/20 0.50
MAPT P10636 5/20 0.50
GAA P10253 5/20 0.50
ALOX15 P16050 3/20 0.50
SNCA P37840 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
BCHE P06276 2/20 0.50
ACHE P22303 2/20 0.50
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
CYP3A4 P08684 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
ALOX12 P18054 1/20 0.50
MAOA P21397 1/20 0.50
CNR1 P21554 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
HTR2C P28335 1/20 0.50
PTGS2 P35354 1/20 0.50

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
SCHEMBL27607313 0.88 NOX1 (0.55) NOX1MAPTGAAALOX15SNCA
SCHEMBL5362784 0.85 NOX1 (0.52) NOX1MAPTGAAALOX15SNCA
SCHEMBL293434 0.85 ALOX5 (0.54) NOX1MAPTGAAALOX15SNCA
Benzene SCHEMBL28125613 0.85 ALOX5 (0.54) NOX1MAPTGAAALOX15SNCA
SCHEMBL7162110 0.84 NOX1 (0.50) NOX1MAPTGAAALOX15SNCA
SCHEMBL31657639 0.84 NOX1 (0.55) NOX1MAPTGAAALOX15SNCA
SCHEMBL1719765 0.84 NOX1 (0.55) NOX1MAPTGAAALOX15SNCA
SCHEMBL547518 0.83 NOX1 (0.48) NOX1MAPTGAAALOX15SNCA
SCHEMBL1509785 0.82 NOX1 (0.49) NOX1MAPTGAAALOX15SNCA
SCHEMBL2803233 0.81 GAA (0.47) NOX1MAPTGAAALOX15SNCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0777481-A1 USE OF N-SUBSTITUTED PHENOTHIAZINES BAYER AG (DE) 1997-06-11 EP claimed
WO-1996005837-A1 USE OF N-SUBSTITUTED PHENOTHIAZINES BAYER AKTIENGESELLSCHAFT (DE) 1996-02-29 WO claimed
EP-2351724-B1 PROCESS FOR PRODUCING p-DICHLOROBENZENE TOSOH CORP (JP) 2014-11-26 EP disclosed
US-7960398-B2 Potent inhibitors of TNF activity VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-14 US disclosed
EP-1317454-B1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMA (US) 2011-05-25 EP disclosed
EP-2295054-A1 Ice inhibitors for the treatment of autoinflammatory diseases Vertex Pharmaceuticals Incorporated (US) 2011-03-16 EP disclosed
US-20090192094-A1 TREATMENT OF DISEASES USING ICE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-07-30 US disclosed
US-7531570-B2 Treatment of diseases using ICE inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-05-12 US disclosed
EP-1778221-A2 ICE INHIBITORS FOR THE TREATMENT OF AUTOINFLAMMATORY DISEASES Vertex Pharmaceuticals Incorporated (US) 2007-05-02 EP disclosed
WO-2005117846-A2 ICE INHIBITORS FOR THE TREATMENT OF AUTOINFLAMMATORY DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-12-15 WO disclosed
US-20050267101-A1 Interleukin-1 beta converting enzyme inhibitor: 3-(1-((4-amino-3-chlorobenzoylamino)tert-butylacetyl)-2-pyrrolidinylcarbonylamino)-3-formylpropionic acid or 4-(1-((4-amino-3-chlorobenzoylamino)tert-butylacetyl)-2-pyrrolidinylcarbonylamino)-5-ethoxy-2-tetrahydrofuranone; autoinflammatory diseases VERTEX PHARMACEUTICALS INCORPORATED 2005-12-01 US disclosed
US-6800619-B2 UREA HETEROCYCLICCARBONYL-SUBSTITUTED ASPARTIC OR GLUTAMIC ACID DERIVATIVES VERTEX PHARMACEUTICALS INCORPORATED 2004-10-05 US disclosed
WO-2004082826-A2 CATALYST COMPOSITION AND METHOD FOR CHLORINATING AROMATIC COMPOUNDS GENERAL ELECTRIC COMPANY (US) 2004-09-30 WO disclosed
US-20040048797-A1 Regulation of TNF-alpha VERTEX PHARMACEUTICALS INCORPORATED 2004-03-11 US disclosed
WO-2003088917-A2 REGULATION OF TNF-ALPHA VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-10-30 WO disclosed
EP-1317454-A2 CASPASE INHIBITORS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2003-06-11 EP disclosed
US-20020058630-A1 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2002-05-16 US disclosed
WO-2002022611-A2 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-03-21 WO disclosed
EP-0126669-B1 N-SUBSTITUTED PHENOTHIAZINE DERIVATIVE AS A CATALYST FOR THE NUCLEAR CHLORINATION OF AROMATIC HYDROCARBONS ELF ATOCHEM S.A. (FR) 1986-08-27 EP disclosed
EP-0126669-A1 N-substituted phenothiazine derivative as a catalyst for the nuclear chlorination of aromatic hydrocarbons ELF ATOCHEM S.A. (FR) 1984-11-28 EP 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 (4 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-20020058630-A1 Caspase inhibitors and uses thereof CASP2, CASP3, CASP7 NOX1 2272/4885MAPT 4537/4885GAA 2738/4885
US-20040048797-A1 Regulation of TNF-alpha TNF, TNFRSF1A, TNFRSF9 NOX1 257/4885MAPT 3010/4885GAA 186/4885
US-20050267101-A1 Interleukin-1 beta converting enzyme inhibitor: 3-(1-((4-amino-3-chlorobenzoylamino)tert-butylacetyl)-2-pyrrolidinylcarbonylamino)-3-formylpropionic acid or 4-(1-((4-amino-3-chlorobenzoylamino)tert-butylacetyl)-2-pyrrolidinylcarbonylamino)-5-ethoxy-2-tetrahydrofuranone; autoinflammatory diseases IL1B, IL1A, NFKBIA NOX1 1286/4885MAPT 583/4885GAA 1438/4885
US-20090192094-A1 TREATMENT OF DISEASES USING ICE INHIBITORS UACA, SSB, NFKBIA NOX1 2574/4885MAPT 30/4885GAA 175/4885

“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.