SCHEMBL1269012

SCHEMBL1269012

O=[C]OCCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
ALDH1A1 P00352 8/20 0.50
TDP1 Q9NUW8 2/20 0.50
GPR35 Q9HC97 2/20 0.45
MAPK1 P28482 2/20 0.45
HIF1A Q16665 2/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 1/20 0.44
TXNRD1 Q16881 1/20 0.44
TXNRD3 Q86VQ6 1/20 0.44
TXNRD2 Q9NNW7 1/20 0.44
ALOX5 P09917 1/20 0.40
HSPB1 P04792 3/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL5544882 0.91 ALDH1A1 (0.54) CYP1A2ALDH1A1TDP1GPR35MAPK1
SCHEMBL95713 0.86 CYP1A2 (0.54) CYP1A2ALDH1A1TDP1GPR35MAPK1
SCHEMBL4942315 0.83 CYP1A2 (0.58) CYP1A2ALDH1A1TDP1GPR35MAPK1
SCHEMBL27961047 0.81 CYP1A2 (0.68) CYP1A2ALDH1A1TDP1GPR35MAPK1
SCHEMBL16389747 0.81 ALDH1A1 (0.56) CYP1A2ALDH1A1TDP1GPR35MAPK1
SCHEMBL1967926 0.79 ALDH1A1 (0.53) ALDH1A1TDP1MAPK1HPGDTSHR
SCHEMBL11196835 0.79 CYP1A2 (0.57) CYP1A2ALDH1A1TDP1GPR35MAPK1
SCHEMBL601816 0.78 CYP1A2 (0.60) CYP1A2ALDH1A1TDP1GPR35MAPK1
SCHEMBL702624 0.78 CYP1A2 (0.53) CYP1A2ALDH1A1TDP1GPR35MAPK1
SCHEMBL10890268 0.78 CYP1A2 (0.64) CYP1A2ALDH1A1TDP1GPR35MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900276-A1 BIFUNCTIONAL CHELATING AGENTS General Electric Company (US) 2015-08-05 EP claimed
US-20140088314-A1 BIFUNCTIONAL CHELATING AGENTS GENERAL ELECTRIC COMPANY (US) 2014-03-27 US claimed
US-6316595-B1 PNA synthesis using a base-labile amino protecting group AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-11-13 US claimed
US-6075143-A USEFUL FOR FORMING PEPTIDE NUCLEIC ACIDS OR HYBRID OF PEPTIDE NUCLEIC ACIDS AND DEOXYNUCLEIC ACID HOECHST AKTIENGESELLSCHAFT (DE) 2000-06-13 US claimed
US-5817811-A AMIDATION OF THE CORRESPOND ESTERIFIED AMINE COMPOUND WITH A CARBOXYLATED NUCLEOTIDE BASE HOECHST AKTIENGESELLSCHAFT (DE) 1998-10-06 US claimed
EP-0672661-A1 Substituted N-ethyl-glycinderivatives for the preparation of PNA and PNA-/DNA hybrides HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-20 EP claimed
US-20230374011-A1 SUBSTITUTED TRICYCLIC COMPOUNDS UNICHEM LABORATORIES LTD. (IN) 2023-11-23 US disclosed
WO-2023194840-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND THEIR USE IN COVID-19 UNICHEM LABORATORIES LIMITED (IN) 2023-10-12 WO disclosed
WO-2023194842-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND THEIR USE IN RHEUMATOID ARTHRITIS UNICHEM LABORATORIES LIMITED (IN) 2023-10-12 WO disclosed
WO-2023194841-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND THEIR USE IN ULCERATIVE COLITIS UNICHEM LABORATORIES LIMITED (IN) 2023-10-12 WO disclosed
EP-4225442-A1 SUBSTITUTED TRICYCLIC COMPOUNDS Unichem Laboratories Ltd (IN) 2023-08-16 EP disclosed
EP-2563847-B1 MCR DENDRIMERS LEIBNIZ INST FÜR PFLANZENBIOCHEMIE IPB (DE) 2016-04-13 EP disclosed
EP-2955171-A1 MANUFACTURE PROCESS OF N-(5-CHLOROSALICYLOYL)-8-AMINOCAPRYLIC ACID Novartis AG (CH) 2015-12-16 EP disclosed
EP-0672700-B1 PNA-synthesis using an aminoprotecting group which is labile against weak acids HOECHST AG (DE) 1999-06-02 EP disclosed
US-5817811-A AMIDATION OF THE CORRESPOND ESTERIFIED AMINE COMPOUND WITH A CARBOXYLATED NUCLEOTIDE BASE HOECHST AKTIENGESELLSCHAFT (DE) 1998-10-06 US disclosed
EP-0761681-A2 Process for the preparation of substituted derivatives of N-ethylglycine HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-12 EP disclosed
EP-0672661-A1 Substituted N-ethyl-glycinderivatives for the preparation of PNA and PNA-/DNA hybrides HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-20 EP disclosed
EP-0672701-A1 PNA-synthesis using a base labile aminoprotecting group HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-20 EP disclosed
EP-0672700-A1 PNA-synthesis using an aminoprotecting group which is labile against weak acids HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-20 EP disclosed
EP-0672677-A2 Polyamide-oligonucleotide derivatives, their production and use HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-20 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 (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-20230374011-A1 SUBSTITUTED TRICYCLIC COMPOUNDS CCNY, CNKSR1, CDK1 CYP1A2 2004/4885ALDH1A1 2777/4885TDP1 3037/4885
US-20140088314-A1 BIFUNCTIONAL CHELATING AGENTS C3AR1, C1R, C9 CYP1A2 4561/4885ALDH1A1 4253/4885TDP1 3366/4885

“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.