SCHEMBL1448047

SCHEMBL1448047

O=C(Cl)c1sc2cc([N+](=O)[O-])ccc2c1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.67
MAPT P10636 7/20 0.67
HPGD P15428 5/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
USP2 O75604 1/20 0.67
APOBEC3G Q9HC16 2/20 0.61
HK1 P19367 1/20 0.61
HKDC1 Q2TB90 1/20 0.61
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
KDM4E B2RXH2 2/20 0.52
BCKDK O14874 2/20 0.48
MCL1 Q07820 2/20 0.48
RXFP1 Q9HBX9 2/20 0.48

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
SCHEMBL8878527 0.88 MAPT (0.56) ALDH1A1MAPTHPGDSMN1; SMN2USP2
SCHEMBL2897835 0.88 MAPT (0.67) ALDH1A1MAPTHPGDSMN1; SMN2USP2
SCHEMBL12553307 0.87 MAPT (0.69) ALDH1A1MAPTHPGDSMN1; SMN2USP2
SCHEMBL11148066 0.87 MAPT (0.65) ALDH1A1MAPTHPGDSMN1; SMN2USP2
SCHEMBL13659632 0.83 MAPT (0.72) ALDH1A1MAPTHPGDSMN1; SMN2USP2
SCHEMBL5038192 0.83 MAPT (0.65) ALDH1A1MAPTHPGDSMN1; SMN2USP2
SCHEMBL3454727 0.79 ALDH1A1 (1.00) ALDH1A1MAPTHPGDSMN1; SMN2USP2
SCHEMBL2723054 0.78 BCKDK (0.75) ALDH1A1MAPTHPGDSMN1; SMN2KMT2A
SCHEMBL5234250 0.76 MAPT (0.56) ALDH1A1MAPTHPGDSMN1; SMN2USP2
SCHEMBL2279755 0.75 BCKDK (0.77) ALDH1A1MAPTHPGDSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0731800-A1 IMPROVED PROCESS FOR THE SYNTHESIS OF 3-CHLOROBENZO [b]THIOPHENE-2-CARBONYL CHLORIDES WARNER-LAMBERT COMPANY (US) 1996-09-18 EP claimed
US-5426191-A Treating substituted cinnamic acids with 4-N,N*-disubstituted aminopyridines, then with thionyl chloride WARNER-LAMBERT COMPANY (US) 1995-06-20 US claimed
WO-1995015323-A1 IMPROVED PROCESS FOR THE SYNTHESIS OF 3-CHLOROBENZO[b]THIOPHENE-2-CARBONYL CHLORIDES WARNER-LAMBERT COMPANY (US) 1995-06-08 WO claimed
US-20110144170-A1 Fc RECEPTOR MODULATING COMPOUNDS AND COMPOSITIONS THE MACFARLANE BURNET INSTITUTE FOR MEDICAL RESEARCH AND PUBLIC HEALTH LTD (AU) 2011-06-16 US disclosed
US-20110144170-A1 Fc RECEPTOR MODULATING COMPOUNDS AND COMPOSITIONS THE MACFARLANE BURNET INSTITUTE FOR MEDICAL RESEARCH AND PUBLIC HEALTH LTD (AU) 2011-06-16 US disclosed
US-20110144170-A1 Fc RECEPTOR MODULATING COMPOUNDS AND COMPOSITIONS THE MACFARLANE BURNET INSTITUTE FOR MEDICAL RESEARCH AND PUBLIC HEALTH LTD (AU) 2011-06-16 US disclosed
US-7910770-B2 3-Isopropoxy-7-methoxy-N-(1H-1,2,3,4-tetrazol-5-yl)-1-benzo[b]thiophene-2-carboxamide; autoimmune diseases such as rheumatoid arthritis, immune thrombocytopenia purpura, systemic lupus erythematosus and Crohn's disease TRILLIUM THERAPEUTICS INC. (CA) 2011-03-22 US disclosed
US-7910770-B2 3-Isopropoxy-7-methoxy-N-(1H-1,2,3,4-tetrazol-5-yl)-1-benzo[b]thiophene-2-carboxamide; autoimmune diseases such as rheumatoid arthritis, immune thrombocytopenia purpura, systemic lupus erythematosus and Crohn's disease TRILLIUM THERAPEUTICS INC. (CA) 2011-03-22 US disclosed
US-7910770-B2 3-Isopropoxy-7-methoxy-N-(1H-1,2,3,4-tetrazol-5-yl)-1-benzo[b]thiophene-2-carboxamide; autoimmune diseases such as rheumatoid arthritis, immune thrombocytopenia purpura, systemic lupus erythematosus and Crohn's disease TRILLIUM THERAPEUTICS INC. (CA) 2011-03-22 US disclosed
US-20090247513-A1 BENZOTHIOPHENE COMPOUNDS HAVING ANTIINFECTIVE ACTIVITY GENESOFT PHARMACEUTICALS, INC. (US) 2009-10-01 US disclosed
US-20090247513-A1 BENZOTHIOPHENE COMPOUNDS HAVING ANTIINFECTIVE ACTIVITY GENESOFT PHARMACEUTICALS, INC. (US) 2009-10-01 US disclosed
US-7329765-B2 Benzothiophene compounds having antiinfective activity GENESOFT PHARMACEUTICALS, INC. (US) 2008-02-12 US disclosed
US-7329765-B2 Benzothiophene compounds having antiinfective activity GENESOFT PHARMACEUTICALS, INC. (US) 2008-02-12 US disclosed
US-20060264484-A1 Fc receptor modulating compounds and compositions THE MACFARLANE BURNET INSTITUTE FOR MEDICAL RESEARCH AND PUBLIC HEALTH LTD (AU) 2006-11-23 US disclosed
EP-1585745-A1 FC RECEPTOR MODULATING COMPOUNDS AND COMPOSITIONS Arthron Limited (AU) 2005-10-19 EP disclosed
WO-2004058747-A1 FC RECEPTOR MODULATING COMPOUNDS AND COMPOSITIONS ARTHRON LIMITED (AU) 2004-07-15 WO disclosed
US-5608074-A Process for the synthesis of 5-amino tetrazole derivatives WARNER-LAMBERT COMPANY (US) 1997-03-04 US disclosed
EP-0731800-A1 IMPROVED PROCESS FOR THE SYNTHESIS OF 3-CHLOROBENZO [b]THIOPHENE-2-CARBONYL CHLORIDES WARNER-LAMBERT COMPANY (US) 1996-09-18 EP disclosed
US-5426191-A Treating substituted cinnamic acids with 4-N,N*-disubstituted aminopyridines, then with thionyl chloride WARNER-LAMBERT COMPANY (US) 1995-06-20 US disclosed
WO-1995015323-A1 IMPROVED PROCESS FOR THE SYNTHESIS OF 3-CHLOROBENZO[b]THIOPHENE-2-CARBONYL CHLORIDES WARNER-LAMBERT COMPANY (US) 1995-06-08 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-20110144170-A1 Fc RECEPTOR MODULATING COMPOUNDS AND COMPOSITIONS FCGR1A, FCGR2A, FCGR3B ALDH1A1 3832/4885MAPT 4834/4885HPGD 2422/4885
US-20060264484-A1 Fc receptor modulating compounds and compositions FCGR1A, FCGR2A, FCGR3B ALDH1A1 3593/4885MAPT 4846/4885HPGD 2481/4885
US-20090247513-A1 BENZOTHIOPHENE COMPOUNDS HAVING ANTIINFECTIVE ACTIVITY TOP2A, TOP1, TOP2B ALDH1A1 2608/4885MAPT 496/4885HPGD 2224/4885

“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.