SCHEMBL974628

SCHEMBL974628

O=[N+]([O-])c1cccc(S(=O)(=O)Cl)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
TDP1 Q9NUW8 3/20 0.46
GPR35 Q9HC97 1/20 0.44
S100A4 P26447 1/20 0.43
F2 P00734 2/20 0.42
PRSS1 P07477 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
CYP19A1 P11511 1/20 0.42
ALDH1A1 P00352 3/20 0.41

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
SCHEMBL10452713 0.87 KMT2A (0.66) KMT2AMEN1CA1CA2MMP1
SCHEMBL30892436 0.84 KMT2A (0.52) KMT2AMEN1CA1CA2MMP1
SCHEMBL517181 0.84 KMT2A (0.52) KMT2AMEN1CA1CA2MMP1
SCHEMBL7770296 0.84 CA1 (0.53) KMT2AMEN1CA1CA2MMP1
SCHEMBL6136877 0.83 TDP1 (0.57) KMT2AMEN1CA1CA2MMP1
SCHEMBL17278 0.82 KMT2A (0.70) KMT2AMEN1CA1CA2MMP1
SCHEMBL29425558 0.82 KMT2A (0.70) KMT2AMEN1CA1CA2MMP1
SCHEMBL11165178 0.81 KMT2A (0.53) KMT2AMEN1CA1CA2MMP1
SCHEMBL31294204 0.81 KMT2A (0.53) KMT2AMEN1CA1CA2MMP1
SCHEMBL9058382 0.81 KMT2A (0.48) KMT2AMEN1CA1CA2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0265686-B1 TEST AGENTS AND INDICATORS FOR THE DETECTION OF THIOL GROUPS AND PROCESSES FOR THEIR PREPARATION MILES INC. (US) 1991-11-27 EP claimed
EP-0265686-A2 Test agents and indicators for the detection of thiol groups and processes for their preparation MILES INC. (US) 1988-05-04 EP claimed
CN-107207467-A 2, 4-dioxo-quinazoline-6-sulfonamide derivatives as inhibitors of PARG 癌症研究科技有限公司 2017-09-26 CN disclosed
US-8426433-B2 Anticoagulant compounds, pharmaceutical compositions on their basis to treat thrombotic conditions, and plasma-substituting solution to correct hypercoagulation defects of hemodilution Obschestvo S Ogranichennoi Otvetsttvennoctiyu “Bionika” (RU) 2013-04-23 US disclosed
US-20110003826-A1 ANTICOAGULANT COMPOUNDS, PHARMACEUTICAL COMPOSITIONS ON THEIR BASIS TO TREAT THROMBOTIC CONDITIONS, AND PLASMA-SUBSTITUTING SOLUTION TO CORRECT HYPERCOAGULATION DEFECTS OF HEMODILUTION Obschestvo S Organichennoi Otvetsttvennoctiyu "Bio (RU) 2011-01-06 US disclosed
US-20100324058-A1 THROMBIN FUNCTION COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS BASED ON THEM OBSCHESTVO S ORGANICHENNOI OTVETSTTVENNOCTIYOU "BIONIKA" (RU) 2010-12-23 US disclosed
EP-2178838-A2 NEW THROMBIN FUNCTION COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS BASED ON THEM Obschestvo S Ogranichennoi Otvetsttvennoctiyu "Bionika" (RU) 2010-04-28 EP disclosed
EP-2178839-A2 NEW ANTICOAGULANT COMPOUNDS, PHARMACEUTICAL COMPOSITIONS ON THEIR BASIS TO TREAT THROMBOTIC CONDITIONS, AND PLASMA-SUBSTITUTING SOLUTION TO CORRECT HYPERCOAGULATION DEFECTS OF HEMODILUTION Obschestvo S Ogranichennoi Otvetsttvennoctiyu "Bionika" (RU) 2010-04-28 EP disclosed
US-7645784-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2010-01-12 US disclosed
EP-2042490-A2 Benzimidazole derivatives as vanilloid receptor antagonists AstraZeneca AB (SE) 2009-04-01 EP disclosed
EP-1626964-B1 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2009-01-21 EP disclosed
US-4962019-A BIS/NITROPHENYL/ DISULFIDE DERIVATIVES MILES INC. (US) 1990-10-09 US disclosed
EP-0384276-A1 Water soluble azo compounds, method for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1990-08-29 EP disclosed
US-4942114-A FLUORESCENT, REFLECTIVE FUJI PHOTO FILM CO., LTD. (JP) 1990-07-17 US disclosed
US-4931579-A Indicators for the detection of thiol groups MILES INC. (US) 1990-06-05 US disclosed
EP-0289847-A1 Preparation of 2-Chloro-5-nitro- and 4-Chloro-3-nitrobenzene-sulfonyl chloride BAYER AG (DE) 1988-11-09 EP disclosed
EP-0265686-A2 Test agents and indicators for the detection of thiol groups and processes for their preparation MILES INC. (US) 1988-05-04 EP disclosed
US-4438245-A FOR LIGHT SENSITIVE ELEMENTS FUJI PHOTO FILM CO., LTD. (JP) 1984-03-20 US disclosed
US-4059584-A ANTIINFLAMMATORY PFIZER (US) 1977-11-22 US disclosed
US-4002623-A Anti-inflammatory 1-[3-(dialkylamino)propyl]-2-acylaminobenzimidazoles and 2-acylamino-3-[3-(dialkylamino)-propyl]imidazo[4,5-b]pyridines PFIZER INC. (US) 1977-01-11 US 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 (2 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-20100324058-A1 THROMBIN FUNCTION COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS BASED ON THEM F2, PLAT, SERPINC1 KMT2A 4554/4885MEN1 2308/4885CA1 3926/4885
US-20110003826-A1 ANTICOAGULANT COMPOUNDS, PHARMACEUTICAL COMPOSITIONS ON THEIR BASIS TO TREAT THROMBOTIC CONDITIONS, AND PLASMA-SUBSTITUTING SOLUTION TO CORRECT HYPERCOAGULATION DEFECTS OF HEMODILUTION F2, PROC, PLG KMT2A 4843/4885MEN1 1026/4885CA1 1545/4885

“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.