SCHEMBL30086

SCHEMBL30086

C=CCOC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.56
BCL9 O00512 1/20 0.50
CTNNB1 P35222 1/20 0.50
GAA P10253 1/20 0.49
KMT2A Q03164 3/20 0.46
PKM P14618 1/20 0.46
MGLL Q99685 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PTPN7 P35236 1/20 0.43
PTPN12 Q05209 1/20 0.43
PTPN22 Q9Y2R2 1/20 0.43
ALDH1A1 P00352 2/20 0.43
TGM2 P21980 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 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
SCHEMBL18321785 0.88 HTR2A (0.53) HTR2ABCL9CTNNB1GAAKMT2A
SCHEMBL26666718 0.88 HTR2A (0.56) HTR2ABCL9CTNNB1GAAKMT2A
SCHEMBL24460937 0.87 HTR2A (0.52) HTR2ABCL9CTNNB1GAAKMT2A
SCHEMBL14512676 0.86 HTR2A (0.54) HTR2ABCL9CTNNB1GAAKMT2A
SCHEMBL26666747 0.85 HTR2A (0.51) HTR2ABCL9CTNNB1GAAKMT2A
SCHEMBL10870487 0.85 CYP3A4 (0.50) KMT2APKMSMN1; SMN2MAPTNPC1
SCHEMBL5491110 0.85 HTR2A (0.53) HTR2ABCL9CTNNB1GAAKMT2A
SCHEMBL2531122 0.83 HTR2A (0.49) HTR2ABCL9CTNNB1GAAKMT2A
SCHEMBL1421471 0.83 HTR2A (0.57) HTR2ABCL9CTNNB1GAAKMT2A
SCHEMBL409598 0.82 HTR2A (0.59) HTR2ABCL9CTNNB1GAAKMT2A

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 1908 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3836273-B1 ELECTROLYTE SOLUTION FOR LITHIUM SECONDARY BATTERIES AND LITHIUM SECONDARY BATTERY INCLUDING THE SAME HYUNDAI MOTOR CO LTD (KR) 2025-03-19 EP claimed
EP-2991655-B1 COMPOSITIONS AND METHODS FOR ALTERING SECOND MESSENGER SIGNALING MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2024-04-10 EP claimed
EP-3606528-B1 TRICYCLIC COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 (GSK3) INHIBITORS AND USES THEREOF BROAD INST INC (US) 2023-10-18 EP claimed
US-11444327-B2 Electrolyte solution for lithium secondary batteries and lithium secondary battery including the same HYUNDAI MOTOR COMPANY (KR) 2022-09-13 US claimed
US-20210184262-A1 ELECTROLYTE SOLUTION FOR LITHIUM SECONDARY BATTERIES AND LITHIUM SECONDARY BATTERY INCLUDING THE SAME KIA MOTORS CORPORATION (KR) 2021-06-17 US claimed
EP-3836273-A1 ELECTROLYTE SOLUTION FOR LITHIUM SECONDARY BATTERIES AND LITHIUM SECONDARY BATTERY INCLUDING THE SAME HYUNDAI MOTOR COMPANY (KR) 2021-06-16 EP claimed
EP-3092220-B1 VITAMIN C PRODRUGS AND USES THEREOF UNIV FLORIDA (US) 2021-01-20 EP claimed
US-10870651-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-12-22 US claimed
EP-2016044-B1 PENTACYCLINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS HARVARD COLLEGE (US) 2020-06-10 EP claimed
EP-3063164-B1 SYNTHETIC ROUTE TO 2'-DEOXY-2',2'-DIFLUOROTETRAHYDROURIDINES OTSUKA PHARMA CO LTD (JP) 2018-12-05 EP claimed
US-9856225-B2 Substituted phenazines as antimicrobial agents UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-01-02 US claimed
EP-2550285-B1 TRIOXACARCINS AND USES THEREOF HARVARD COLLEGE (US) 2017-07-19 EP claimed
US-20150376201-A1 CORTISTATIN ANALOGUES AND SYNTHESES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-12-31 US claimed
CN-112993404-B Electrolyte solution for lithium secondary battery and lithium secondary battery comprising same 现代自动车株式会社 2026-03-13 CN disclosed
EP-3836273-B1 ELECTROLYTE SOLUTION FOR LITHIUM SECONDARY BATTERIES AND LITHIUM SECONDARY BATTERY INCLUDING THE SAME HYUNDAI MOTOR CO LTD (KR) 2025-03-19 EP disclosed
CN-118355117-A Oligonucleotide compositions and methods thereof 波涛生命科学有限公司 2024-07-16 CN disclosed
US-6608192-B1 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2003-08-19 US disclosed
EP-1107969-A2 COLLECTIONS OF COMPOUNDS Spirogen Limited (GB) 2001-06-20 EP disclosed
WO-2000012506-A2 COLLECTIONS OF COMPOUNDS SPIROGEN LIMITED (GB) 2000-03-09 WO disclosed
US-5789595-A ANTICOAGULANTS TERUMO KABUSHIKI KAISHA (JP) 1998-08-04 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 (4 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-20150376201-A1 CORTISTATIN ANALOGUES AND SYNTHESES THEREOF CTTN, TEK, FLT1 HTR2A 4246/4885BCL9 3726/4885CTNNB1 2279/4885
US-20210184262-A1 ELECTROLYTE SOLUTION FOR LITHIUM SECONDARY BATTERIES AND LITHIUM SECONDARY BATTERY INCLUDING THE SAME NCL, NPM1, CACNA2D1 HTR2A 4837/4885BCL9 490/4885CTNNB1 152/4885
US-10870651-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK3, CDK9 HTR2A 3718/4885BCL9 48/4885CTNNB1 981/4885
US-11444327-B2 Electrolyte solution for lithium secondary batteries and lithium secondary battery including the same NCL, PSPH, NNT HTR2A 4812/4885BCL9 452/4885CTNNB1 349/4885

“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.