SCHEMBL3138057

SCHEMBL3138057

O=S(=O)(O)c1cccc2nsnc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
POLB P06746 2/20 0.63
KMT2A Q03164 2/20 0.58
CASP6 P55212 2/20 0.58
CTDSP1 Q9GZU7 2/20 0.58
MEN1 O00255 1/20 0.58
LMNA P02545 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
DUSP3 P51452 1/20 0.58
PTPN5 P54829 1/20 0.58
PTPN11 Q06124 1/20 0.58
MAPT P10636 2/20 0.54
USP2 O75604 1/20 0.54
GAA P10253 1/20 0.54
TDP1 Q9NUW8 1/20 0.52
RAB9A P51151 1/20 0.52
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
Hydrochloric Acid SCHEMBL27326488 0.98 ALDH1A1 (0.61) ALDH1A1POLBKMT2ACASP6CTDSP1
SCHEMBL761217 0.81 ALDH1A1 (0.63) ALDH1A1POLBKMT2ACASP6CTDSP1
SCHEMBL4111126 0.81 ALDH1A1 (0.63) ALDH1A1POLBKMT2ACASP6CTDSP1
SCHEMBL12774648 0.81 ALDH1A1 (0.68) ALDH1A1POLBKMT2ACASP6CTDSP1
SCHEMBL15882764 0.81 ALDH1A1 (0.71) ALDH1A1POLBKMT2ACASP6CTDSP1
SCHEMBL3903086 0.72 MAPT (0.51) ALDH1A1POLBKMT2AMEN1LMNA
SCHEMBL1338456 0.72 L3MBTL1 (0.61) ALDH1A1POLBKMT2ACASP6CTDSP1
SCHEMBL28338713 0.72 ALDH1A1 (0.55) ALDH1A1POLBKMT2ACYP1A2CYP2C9
SCHEMBL1381546 0.72 KDM4E (0.46) ALDH1A1POLBKMT2AMEN1CYP1A2
SCHEMBL23016797 0.71 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263609-B2 Tetrahydro-β-carbolin-sulfonamide derivatives as 5-Ht6 ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-09-11 US claimed
EP-2007729-B1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE LABOR DR (ES) 2012-06-27 EP claimed
EP-1899296-B1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2010-11-17 EP claimed
US-7812040-B2 such as 3-(3-Acetyl-phenyl)-1-[3-(3-chloro-4-pyrrolidin-1-ylmethyl-phenoxy)-cyclobutylmethyl]-1-methyl-urea, used for the treatment of , schizophrenia, Alzheimer's disease, attention-deficit hyperactivity disorder, hypotension, allergies, cardiovascular, gastrointestinal and psychological disorders PFIZER INC. (US) 2010-10-12 US claimed
EP-2149573-A1 Substituted indole sulfonamide compounds their preparation and use as medicaments Laboratorios Del. Dr. Esteve, S.A. (ES) 2010-02-03 EP claimed
US-20090264457-A1 Combination of at least two 5HT6-Ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-10-22 US claimed
US-20090209528-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2009-08-20 US claimed
US-20090131433-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER INC. (US) 2009-05-21 US claimed
EP-1919475-B1 TETRAHYDRO- BETA-CARBOLIN-SULFONAMIDE DERIVATIVES AS 5-HT6 LIGANDS ESTEVE LABOR DR (ES) 2009-03-11 EP claimed
EP-2020230-A1 Combination of at least two 5-HT6-Ligands Laboratorios del Dr. Esteve S.A. (ES) 2009-02-04 EP claimed
EP-1594505-A2 PHENYLGLYCINE DERIVATIVES USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2005-11-16 EP claimed
WO-2005077897-A1 SUBSTITUTED AZETIDINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2005-08-25 WO claimed
US-20050187208-A1 Substituted Azetidine compounds, their preparation and use as medicaments LABORATORIOS DE DR. ESTEVE S.A. (ES) 2005-08-25 US claimed
EP-1385841-A4 SULFONAMIDES SMITHKLINE BEECHAM CORP (US) 2005-03-02 EP claimed
US-20040204412-A1 Phenylglycine derivatives useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US claimed
US-20040192708-A1 Sulfonamide substituted xanthine derivatives DUNTEN PETER W (US) 2004-09-30 US claimed
WO-2004072101-A2 PHENYLGLYCINE DERIVATIVES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-08-26 WO claimed
US-20040142948-A1 Sulfonamides DHANAK DASHYANT (US) 2004-07-22 US claimed
EP-1385841-A1 SULFONAMIDES SmithKline Beecham Corporation (US) 2004-02-04 EP claimed
WO-2002090353-A1 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2002-11-14 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20040192708-A1 Sulfonamide substituted xanthine derivatives GYS2, SLC5A1, SLC5A2 ALDH1A1 277/4885POLB 4315/4885KMT2A 2608/4885
US-20090131433-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS HRH3, HRH4, HRH2 ALDH1A1 923/4885POLB 1820/4885KMT2A 1261/4885
US-20090264457-A1 Combination of at least two 5HT6-Ligands HTR6, HTR3B, HTR4 ALDH1A1 1409/4885POLB 4040/4885KMT2A 592/4885
US-20040204412-A1 Phenylglycine derivatives useful as serine protease inhibitors F7, SERPINE1, HABP2 ALDH1A1 3767/4885POLB 3339/4885KMT2A 1933/4885
US-20090209528-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS HTR6, HTR5A, HTR7 ALDH1A1 1731/4885POLB 3424/4885KMT2A 2232/4885
US-20050187208-A1 Substituted Azetidine compounds, their preparation and use as medicaments AZI2, NISCH, QDPR ALDH1A1 335/4885POLB 3957/4885KMT2A 2935/4885
US-20040142948-A1 Sulfonamides UTS2R, PRSS2, STS ALDH1A1 3733/4885POLB 4372/4885KMT2A 2203/4885

“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.