SCHEMBL710185

SCHEMBL710185

O=S1(=O)NCCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.50
HTR2C P28335 1/20 0.43
AOC3 Q16853 1/20 0.39
PNMT P11086 1/20 0.39
CD44 P16070 1/20 0.39
MAOB P27338 1/20 0.39
GRIA2 P42262 1/20 0.39
PDPK1 O15530 1/20 0.38
PARP1 P09874 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP11 Q9NR21 1/20 0.38
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA4 P22748 3/20 0.38
CA7 P43166 3/20 0.38
CA9 Q16790 3/20 0.38
SIGMAR1 Q99720 1/20 0.36
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL16852846 0.88 KEAP1 (0.47) KEAP1HTR2CAOC3PNMTCD44
SCHEMBL16852799 0.86 KEAP1 (0.46) KEAP1HTR2CAOC3PNMTCD44
SCHEMBL29412515 0.80 HTR2C (0.40) KEAP1HTR2CPNMTCD44MAOB
SCHEMBL29681708 0.78 KEAP1 (0.44) KEAP1GRIA2CA12CA1CA2
SCHEMBL61176 0.78 KEAP1 (0.44) KEAP1GRIA2CA12CA1CA2
Hydrochloric Acid SCHEMBL7399331 0.77 KEAP1 (0.43) KEAP1GRIA2CA12CA1CA2
SCHEMBL16852807 0.73 CA1 (0.39) KEAP1HTR2CGRIA2PDPK1CA12
SCHEMBL25320318 0.73 CA1 (0.47) KEAP1HTR2CAOC3GRIA2PARP1
SCHEMBL22726002 0.73 AOC3 (0.47) KEAP1AOC3MAOBCA12CA1
SCHEMBL21266522 0.73 CA1 (0.49) KEAP1AOC3GRIA2PARP1PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 US claimed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 US claimed
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives PHARMACIA & UPJOHN COMPANY 2004-09-02 US claimed
EP-0082217-A1 Ammonium salts, process for their preparation, pharmaceutical preparations containing them and their use CIBA-GEIGY AG (CH) 1983-06-29 EP claimed
US-4327091-A ANTIINFLAMMATORY AGENTS CIBA-GEIGY CORPORATION (US) 1982-04-27 US claimed
EP-0003360-B1 AZATHIANAPHTHALENE DERIVATIVES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND THEIR UTILISATION CIBA-GEIGY AG (CH) 1981-12-30 EP claimed
US-4213980-A ANTIINFLAMMATORY AGENTS CIBA-GEIGY CORPORATION (US) 1980-07-22 US claimed
EP-4584250-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS Biohaven Therapeutics Ltd. (VG) 2025-07-16 EP disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
EP-3116851-B1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INST FOR BIOLOGICAL STUDI (US) 2023-07-26 EP disclosed
US-20230134822-A1 AMINE COMPOUND, CHEMICALLY AMPLIFIED RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-04 US disclosed
US-20230137472-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-04 US disclosed
US-20230137472-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-04 US disclosed
EP-0003360-B1 AZATHIANAPHTHALENE DERIVATIVES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND THEIR UTILISATION CIBA-GEIGY AG (CH) 1981-12-30 EP disclosed
US-4233299-A ANTIINFLAMMATORY AGENTS, ANTIPYRETICS BOEHRINGER INGELHEIM GMBH (DE) 1980-11-11 US disclosed
US-4213980-A ANTIINFLAMMATORY AGENTS CIBA-GEIGY CORPORATION (US) 1980-07-22 US disclosed
US-4213980-A ANTIINFLAMMATORY AGENTS CIBA-GEIGY CORPORATION (US) 1980-07-22 US disclosed
EP-0003360-A1 Azathianaphthalene derivatives, process for their preparation, pharmaceutical preparations containing them and their utilisation CIBA-GEIGY AG (CH) 1979-08-08 EP disclosed
EP-0003360-A1 Azathianaphthalene derivatives, process for their preparation, pharmaceutical preparations containing them and their utilisation CIBA-GEIGY AG (CH) 1979-08-08 EP disclosed
EP-0002482-A1 4-Hydroxy-2H-1,2-benzothiazine-3-carboxamide-1,1-dioxides, processes for their preparation and pharmaceutical compositions containing them Dr. Karl Thomae GmbH (DE) 1979-06-27 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 (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-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives BACE1, BACE2, PSEN1 KEAP1 1606/4885HTR2C 982/4885AOC3 1289/4885
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease BACE1, BACE2, APP KEAP1 1657/4885HTR2C 3772/4885AOC3 3393/4885
US-20230134822-A1 AMINE COMPOUND, CHEMICALLY AMPLIFIED RESIST COMPOSITION, AND PATTERNING PROCESS GFER, GNMT, DNER KEAP1 1002/4885HTR2C 327/4885AOC3 2411/4885

“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.