SCHEMBL2852302

SCHEMBL2852302

O=S(=O)(O)c1cc(Cl)ccc1N1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.54
HTR6 P50406 12/20 0.51
ADRB1 P08588 4/20 0.51
HTR3E A5X5Y0 3/20 0.51
HTR3B O95264 3/20 0.51
HTR3A P46098 3/20 0.51
HTR3D Q70Z44 3/20 0.51
HTR3C Q8WXA8 3/20 0.51
SIGMAR1 Q99720 2/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
HTR1A P08908 1/20 0.51
CYP2D6 P10635 1/20 0.51
THRB P10828 1/20 0.51
CYP2C9 P11712 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
SLC6A4 P31645 1/20 0.51
CYP2C19 P33261 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
SCHEMBL2557226 0.85 USP2 (0.54) USP2HTR6ADRB1HTR3EHTR3B
SCHEMBL2851556 0.82 NCF1 (0.46) HTR6HTR7HTTNCF1
Caldaret SCHEMBL1650574 0.82 ALDH1A1 (0.52) HTR6ADRB1HTR3EHTR3BHTR3A
SCHEMBL10704299 0.82 HTR6 (0.50) HTR6THRBHTR2CHTT
Caldaret SCHEMBL3135751 0.81 ALDH1A1 (0.51) HTR6ADRB1HTR3EHTR3BHTR3A
Caldaret SCHEMBL2853338 0.81 ALDH1A1 (0.51) HTR6ADRB1HTR3EHTR3BHTR3A
Caldaret SCHEMBL29711318 0.81 ALDH1A1 (0.51) HTR6ADRB1HTR3EHTR3BHTR3A
Caldaret SCHEMBL3139412 0.81 ALDH1A1 (0.51) HTR6ADRB1HTR3EHTR3BHTR3A
SCHEMBL2857961 0.78 ADRB2 (0.49) HTR6ADRB1HTR3EHTR3BHTR3A
SCHEMBL2848670 0.78 HTR6 (0.52) HTR6HTR1AHTR2AHTR7HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100486574-C Remedies and/or preventives for nervous system disorders MITSUBISHI PHARMACEUTICALS INC (JP) 2009-05-13 CN claimed
US-20080114000-A1 Suppressor of excess accumulation of intracellular sodium ions SATOU NAOYA 2008-05-15 US claimed
US-20070270409-A1 Medicament for Preventing and/or Treating Ischemic Cardiovascular Disease MITSUBISHI PHARMA CORPORATION (JP) 2007-11-22 US claimed
CN-1946396-A Medicine for prevention and/or treatment of ischemic circulatory disease MITSUBISHI PHARMA CORP (JP) 2007-04-11 CN claimed
EP-1723955-A1 MEDICINE FOR PREVENTION AND/OR TREATMENT OF ISCHEMIC CIRCULATORY DISEASE Mitsubishi Pharma Corporation (JP) 2006-11-22 EP claimed
US-20060167013-A1 Inhibitors for excessive accumulation of sodium ion in cells MITSUBISHI TANABE PHARMA CORPORATION (JP) 2006-07-27 US claimed
CN-1638773-A Pharmaceutical preparation containing aminobenzenesulfonic acid derivative as active ingredient MITSUBISHI PHARMA CORP (JP) 2005-07-13 CN claimed
US-20050124632-A1 Remedies and/or preventives for diabetic ischemic heart diseases MITSUBISHI TANABE PHARMA CORPORATION (JP) 2005-06-09 US claimed
US-20050004139-A1 Pharmaceutical preparations containing aminobenzene-sulfonic acid derivatives as the active ingredient MITSUBISHI PHARMA CORPORATION (JP) 2005-01-06 US claimed
US-20040259861-A1 Medicament inhibiting sodium/calcium exchange system MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-12-23 US claimed
CN-1496261-A Remedies and/or preventives for diabetic ischemic heart diseases 三菱制药株式会社 2004-05-12 CN claimed
EP-1409080-A1 MEDICAMENT INHIBITING SODIUM/CALCIUM EXCHANGE SYSTEM Mitsubishi Pharma Corporation (JP) 2004-04-21 EP claimed
EP-1374868-A1 REMEDIES AND/OR PREVENTIVES FOR DIABETIC ISCHEMIC HEART DISEASES Mitsubishi Pharma Corporation (JP) 2004-01-02 EP claimed
CN-1434724-A Remedies and/or preventives for nervous system disorders MITSUBISHI PHARMACEUTICALS INC (JP) 2003-08-06 CN claimed
US-20030114427-A1 Remedies and/or preventives for nervous system disorders MITSUBISHI TANABE PHARMA CORPORATION (JP) 2003-06-19 US claimed
WO-2003009897-A1 MEDICAMENT INHIBITING SODIUM/CALCIUM EXCHANGE SYSTEM MITSUBISHI PHARMA CORPORATION (JP) 2003-02-06 WO claimed
EP-1249245-A1 REMEDIES AND/OR PREVENTIVES FOR NERVOUS SYSTEM DISORDERS Mitsubishi Pharma Corporation (JP) 2002-10-16 EP claimed
EP-0390654-B1 Aminobenzenesulfonic acid derivative MITSUBISHI CHEM IND (JP) 1994-11-09 EP claimed
US-5053409-A Calcium chanel blockers, antiischemic agent MITSUBISHI KASEI CORPORATION (JP) 1991-10-01 US claimed
EP-0390654-A1 Aminobenzenesulfonic acid derivative Mitsubishi Chemical Corporation (JP) 1990-10-03 EP 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-20040259861-A1 Medicament inhibiting sodium/calcium exchange system ATP2A1, ATP2A3, ATP2A2 USP2 4362/4885HTR6 631/4885ADRB1 226/4885
US-20070270409-A1 Medicament for Preventing and/or Treating Ischemic Cardiovascular Disease FABP3, TNNI3, TNNT2 USP2 3096/4885HTR6 1739/4885ADRB1 139/4885
US-20050124632-A1 Remedies and/or preventives for diabetic ischemic heart diseases SLC5A1, FABP3, IAPP USP2 3424/4885HTR6 1339/4885ADRB1 42/4885
US-20080114000-A1 Suppressor of excess accumulation of intracellular sodium ions ATP2A1, ATP2A2, ATP2A3 USP2 3382/4885HTR6 3678/4885ADRB1 1151/4885
US-20050004139-A1 Pharmaceutical preparations containing aminobenzene-sulfonic acid derivatives as the active ingredient SI, NPPA, ATP6V1B1 USP2 3454/4885HTR6 520/4885ADRB1 122/4885
US-20030114427-A1 Remedies and/or preventives for nervous system disorders CHERP, ATP2A1, ATP2A3 USP2 2900/4885HTR6 1203/4885ADRB1 2184/4885
US-20060167013-A1 Inhibitors for excessive accumulation of sodium ion in cells TNNI3, ATP2A1, SLC8B1 USP2 3548/4885HTR6 3535/4885ADRB1 729/4885

“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.