SCHEMBL95713

SCHEMBL95713

O=[C]OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
TDP1 Q9NUW8 2/20 0.47
ALDH1A1 P00352 7/20 0.46
GPR35 Q9HC97 2/20 0.46
MAPK1 P28482 2/20 0.46
HIF1A Q16665 2/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TXNRD1 Q16881 1/20 0.45
TXNRD3 Q86VQ6 1/20 0.45
TXNRD2 Q9NNW7 1/20 0.45
MEN1 O00255 4/20 0.42
MAPT P10636 4/20 0.42
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 2/20 0.42
ALOX5 P09917 1/20 0.41
HSPB1 P04792 3/20 0.40
LMNA P02545 2/20 0.40

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
SCHEMBL1269012 0.86 CYP1A2 (0.53) CYP1A2TDP1ALDH1A1GPR35MAPK1
SCHEMBL5544882 0.83 ALDH1A1 (0.54) CYP1A2TDP1ALDH1A1GPR35MAPK1
SCHEMBL4943689 0.83 CYP1A2 (0.60) CYP1A2TDP1ALDH1A1GPR35MAPK1
SCHEMBL9518662 0.83 POLB (0.45) CYP1A2TDP1ALDH1A1HPGDTSHR
SCHEMBL9730842 0.83 ALDH1A1 (0.51) CYP1A2TDP1ALDH1A1TSHRSMN1; SMN2
SCHEMBL95261 0.83 VCAM1 (0.47) CYP1A2TDP1ALDH1A1MAPK1HPGD
SCHEMBL9732280 0.80 KAT2B (0.42) CYP1A2TDP1ALDH1A1SMN1; SMN2MEN1
SCHEMBL27800545 0.80 CYP1A2 (0.57) CYP1A2TDP1ALDH1A1GPR35MAPK1
SCHEMBL28530574 0.80 CYP1A2 (0.57) CYP1A2TDP1ALDH1A1GPR35MAPK1
SCHEMBL27961047 0.79 CYP1A2 (0.68) CYP1A2TDP1ALDH1A1GPR35MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050037407-A1 Methods and apparatuses for electronic determination of analytes FEBIT AG (DE) 2005-02-17 US claimed
US-20020160427-A1 Methods and apparatuses for electronic determination of analytes FEBIT AG 2002-10-31 US claimed
EP-4387954-A1 LONG-LIVED REDOX-ACTIVE MOLECULES WITH LOW REDOX POTENTIAL President and Fellows of Harvard College (US) 2024-06-26 EP disclosed
US-20240165267-A1 MODIFIED NUCLEIC ACID MOLECULES AND USES THEREOF ARES CAPITAL CORPORATION, AS AGENT 2024-05-23 US disclosed
US-11987590-B2 Compounds that participate in cooperative binding and uses thereof Revolution Medicines, Inc. (US) 2024-05-21 US disclosed
US-20240136561-A1 ELECTRICAL REGENERATION OF ELECTROLYTES PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2024-04-25 US disclosed
CN-117794585-A Radioimmunoconjugates and checkpoint inhibitor combination therapies 融合制药公司 2024-03-29 CN disclosed
CN-117603148-A Pharmacokinetic enhancement of difunctional chelates and uses thereof 探针技术开发及商业化中心 2024-02-27 CN disclosed
EP-4292156-A1 ELECTRICAL REGENERATION OF ELECTROLYTES President and Fellows of Harvard College (US) 2023-12-20 EP disclosed
EP-4289950-A2 MACROCYCLIC COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND MEDICAL USES THEREOF Revolution Medicines, Inc. (US) 2023-12-13 EP disclosed
CN-116964799-A Electric regeneration of electrolytes 哈佛大学校长及研究员协会 2023-10-27 CN disclosed
EP-0158467-B1 METHOD FOR SELECTIVE METHYLATION OF ERYTHROMYCIN A DERIVATIVES TAISHO PHARMACEUTICAL CO. LTD (JP) 1989-07-05 EP disclosed
EP-0273599-A1 Process for preparing 2beta-substituted-methyl-penicillin derivatives TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1988-07-06 EP disclosed
EP-0272016-A1 2beta-substituted-methylpenicillanic acid derivatives, and salts and esters thereof TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1988-06-22 EP disclosed
CN-86108176-A Lankacidin derivatives and process for producing the same 1987-10-21 CN disclosed
US-4672109-A Method for selective methylation of erythromycin A derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 1987-06-09 US disclosed
US-4614614-A Process for the manufacture of optically active azetidinones CIBA-GEIGY CORPORATION (US) 1986-09-30 US disclosed
EP-0158467-A2 Method for selective methylation of erythromycin a derivatives TAISHO PHARMACEUTICAL CO. LTD (JP) 1985-10-16 EP disclosed
EP-0126709-A1 Process for the preparation of optically active azetidinones CIBA-GEIGY AG (CH) 1984-11-28 EP disclosed
US-4296128-A ANTITHROMBOSIS AGENTS CIBA-GEIGY CORPORATION (US) 1981-10-20 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-11987590-B2 Compounds that participate in cooperative binding and uses thereof CEP170, PIN1, FKBP3 CYP1A2 4064/4885TDP1 3248/4885ALDH1A1 4800/4885
US-20240165267-A1 MODIFIED NUCLEIC ACID MOLECULES AND USES THEREOF NSUN2, ADAR, NSUN3 CYP1A2 4850/4885TDP1 132/4885ALDH1A1 1969/4885

“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.