SCHEMBL3238294

SCHEMBL3238294

Nc1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2c1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
HSD17B10 Q99714 4/20 0.51
CASP6 P55212 3/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
TTR P02766 1/20 0.43
NT5E P21589 4/20 0.42
SENP2 Q9HC62 5/20 0.42
SUMO2 P61956 4/20 0.42
SUMO1 P63165 4/20 0.42
SENP7 Q9BQF6 4/20 0.42
NSD2 O96028 2/20 0.41
DUSP3 P51452 1/20 0.41
PTPN5 P54829 1/20 0.41
PTPN11 Q06124 1/20 0.41
SENP1 Q9P0U3 4/20 0.40
SENP3 Q9H4L4 3/20 0.40
GAA P10253 2/20 0.39
PLCG1 P19174 1/20 0.39
DNMT1 P26358 1/20 0.39

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
SCHEMBL30331110 1.00 ALDH1A1 (0.51) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL30331075 1.00 ALDH1A1 (0.51) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL28975739 0.98 ALDH1A1 (0.50) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL27418691 0.98 ALDH1A1 (0.50) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL1755146 0.88 ALDH1A1 (0.49) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL30385294 0.88 ALDH1A1 (0.49) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL1755228 0.85 ALDH1A1 (0.50) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL30052645 0.85 ALDH1A1 (0.50) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL4881379 0.83 CASP6 (0.57) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL1755145 0.81 ALDH1A1 (0.53) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115872937-A Side imidazolyl-containing wholly aromatic side chain type sulfonated diamine monomer, and preparation method and application thereof 中国石化扬子石油化工有限公司 2023-03-31 CN claimed
CN-106729953-B Functionalized modified polyvinyl alcohol embolism microsphere and preparation method thereof 苏州恒瑞迦俐生生物医药科技有限公司 2020-09-15 CN claimed
CN-115872937-A Side imidazolyl-containing wholly aromatic side chain type sulfonated diamine monomer, and preparation method and application thereof 中国石化扬子石油化工有限公司 2023-03-31 CN disclosed
US-10955395-B2 Ruthenium complex for use in nitrite detection CITY UNIVERSITY OF HONG KONG (HK) 2021-03-23 US disclosed
CN-106729953-B Functionalized modified polyvinyl alcohol embolism microsphere and preparation method thereof 苏州恒瑞迦俐生生物医药科技有限公司 2020-09-15 CN disclosed
US-20190017980-A1 RUTHENIUM COMPLEX FOR USE IN NITRITE DETECTION CITY UNIVERSITY OF HONG KONG (HK) 2019-01-17 US disclosed
CN-107384160-A A kind of waterborne metal anti-corrosive paint 湖州吉复新型材料科技有限公司 2017-11-24 CN disclosed
CN-106729953-A A kind of functional modification Polyvinyl Alcohol Embolization microballoon and preparation method thereof 苏州恒瑞迦俐生生物医药科技有限公司 2017-05-31 CN disclosed
US-20170122954-A1 PROFILING REACTIVE OXYGEN, NITROGEN AND HALOGEN SPECIES ENZO LIFE SCIENCES, INC., C/O ENZO BIOCHEM, INC. (US) 2017-05-04 US disclosed
US-20150192564-A1 PROFILING REACTIVE OXYGEN, NITROGEN AND HALOGEN SPECIES ENZO LIFE SCIENCES, INC., C/O ENZO BIOCHEM, INC. (US) 2015-07-09 US disclosed
US-20100081159-A1 Profiling reactive oxygen, nitrogen and halogen species ENZO LIFE SCIENCES, INC. C/O ENZO BIOCHEM, INC. 2010-04-01 US disclosed
CN-1091098-C 1,2-diamino-5,7-naphthalenedisulfonic iron complex and its synthesis and use UNIV WUHAN (CN) 2002-09-18 CN disclosed
CN-1091098-C 1,2-diamino-5,7-naphthalenedisulfonic iron complex and its synthesis and use UNIV WUHAN (CN) 2002-09-18 CN disclosed
CN-1308055-A 1,2-diamino-5,7-naphthalenedisulfonic iron complex and its synthesis and use UNIV WUHAN (CN) 2001-08-15 CN disclosed
CN-1308055-A 1,2-diamino-5,7-naphthalenedisulfonic iron complex and its synthesis and use UNIV WUHAN (CN) 2001-08-15 CN disclosed
CN-1290694-A 5,6-diamino-1,3-naphthalenedisulfonic acid and its preparing method and use UNIV WUHAN (CN) 2001-04-11 CN disclosed
CN-1290694-A 5,6-diamino-1,3-naphthalenedisulfonic acid and its preparing method and use UNIV WUHAN (CN) 2001-04-11 CN disclosed
US-4284544-A Process for the preparation of water-dispersible or water-soluble blocked polyisocyanates, the blocked polyisocyanates obtainable by this process and lacquer binders containing these blocked polyisocyanates as isocyanate component BAYER AKTIENGESELLSCHAFT (DE) 1981-08-18 US disclosed
EP-0012348-A1 A binding agent comprising a polyisocyanate component and a polyhydroxy component for coating means applied from an aqueous phase BAYER AG (DE) 1980-06-25 EP disclosed
US-4061627-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1977-12-06 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-20190017980-A1 RUTHENIUM COMPLEX FOR USE IN NITRITE DETECTION NOS2, NOS1, NOS3 ALDH1A1 405/4885HSD17B10 1072/4885CASP6 3022/4885
US-10955395-B2 Ruthenium complex for use in nitrite detection CBR3, CYB5R3, C5 ALDH1A1 656/4885HSD17B10 783/4885CASP6 3060/4885

“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.