SCHEMBL734091

SCHEMBL734091

[CH2]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.62
▸ TDP1 Q9NUW8 3/20 0.55
▸ ALDH1A1 P00352 7/20 0.53
▸ TSHR P16473 3/20 0.53
▸ GPR35 Q9HC97 2/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ HIF1A Q16665 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ TXNRD1 Q16881 1/20 0.52
▸ TXNRD3 Q86VQ6 1/20 0.52
▸ TXNRD2 Q9NNW7 1/20 0.52
▸ MAPT P10636 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ALOX5 P09917 1/20 0.46
▸ GAA P10253 1/20 0.44
▸ LMNA P02545 1/20 0.43

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
SCHEMBL11202951 0.87 CYP1A2 (0.60) CYP1A2TDP1ALDH1A1TSHRGPR35
SCHEMBL27961047 0.86 CYP1A2 (0.68) CYP1A2TDP1ALDH1A1TSHRGPR35
SCHEMBL5255224 0.85 GPR35 (0.53) CYP1A2TDP1ALDH1A1TSHRGPR35
SCHEMBL5333075 0.84 CYP1A2 (0.66) CYP1A2TDP1ALDH1A1TSHRGPR35
SCHEMBL8652551 0.84 CYP1A2 (0.57) CYP1A2TDP1ALDH1A1TSHRGPR35
SCHEMBL10890268 0.82 CYP1A2 (0.64) CYP1A2TDP1ALDH1A1TSHRGPR35
SCHEMBL188306 0.82 CYP1A2 (0.64) CYP1A2TDP1ALDH1A1TSHRGPR35
SCHEMBL29638033 0.82 CYP1A2 (0.64) CYP1A2TDP1ALDH1A1TSHRGPR35
SCHEMBL7665273 0.82 CYP1A2 (0.64) CYP1A2TDP1ALDH1A1TSHRGPR35
SCHEMBL10891708 0.82 CYP1A2 (0.64) CYP1A2TDP1ALDH1A1TSHRGPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10577459-B2 Aliphatic poly(ester)s with thiol pendant groups WISTRAND, Anna (SE) 2020-03-03 — — US claimed
US-20180305495-A1 ALIPHATIC POLY(ESTER)S WITH THIOL PENDANT GROUPS PAPPALARDO, Daniela (IT) 2018-10-25 — — US claimed
EP-3362500-A1 ALIPHATIC POLY(ESTER)S WITH THIOL PENDANT GROUPS Novus Scientific AB (SE) 2018-08-22 — — EP claimed
WO-2017064291-A1 ALIPHATIC POLY(ESTER)S WITH THIOL PENDANT GROUPS NOVUS SCIENTIFIC AB (SE) 2017-04-20 — — WO claimed
EP-1626952-B1 MULTIFUNCTIONAL REAGENT FOR THE SYNTHESIS OF THIOL MODIFIED OLIGOMERS FRIZ BIOCHEM GES FÜR BIOANALYTIK MBH (DE) 2014-06-04 — — EP claimed
EP-1594835-A4 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES AUSPEX PHARMACEUTICALS INC (US) 2007-05-02 — — EP claimed
US-20060173199-A1 Method of preparation of heterocyclic molecules with pharmaceutical, pharmaceutical excipient, cosmeceutical, agrochemical and industrial uses HONG BORCHERNG 2006-08-03 — — US claimed
EP-1626952-A2 MULTIFUNCTIONAL REAGENT FOR THE SYNTHESIS OF THIOL MODIFIED OLIGOMERS FRIZ Biochem Gesellschaft für Bioanalytik mbH (DE) 2006-02-22 — — EP claimed
EP-1594835-A2 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES Auspex Pharmaceuticals, Inc. (US) 2005-11-16 — — EP claimed
US-20050153291-A1 Multifunctional reagent for the synthesis of thiol modified oligomers FRIZ BIOCHEM GESELLSCHAFT FUR BIOANALYTIK MBH (DE) 2005-07-14 — — US claimed
WO-2004064745-A2 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES AUSPEX PHARMACEUTICALS, INC. (US) 2004-08-05 — — WO claimed
WO-2003055852-A2 MULTIFUNCTIONAL REAGENT FOR THE SYNTHESIS OF THIOL MODIFIED OLIGOMERS FRIZ BIOCHEM GMBH (DE) 2003-07-10 — — WO claimed
US-6359144-B1 BIOSYNTHESIS; SCREENING LION BIOSCIENCE AG (DE) 2002-03-19 — — US claimed
WO-1998034113-A1 COMBINATORIAL LIBRARIES OF BICYCLIC GUANIDINE DERIVATIVES AND COMPOUNDS THEREIN TREGA BIOSCIENCES, INC. (US) 1998-08-06 — — WO claimed
US-5786448-A FOR SCREENING, SYNTHESIZING PEPTIDE DERIVATIVES TREGA BIOSCIENCES, INC. (US) 1998-07-28 — — US claimed
WO-1998019693-A1 COMBINATORIAL LIBRARIES OF CYCLIC UREA AND CYCLIC THIOUREA DERIVATIVES AND COMPOUNDS THEREIN TREGA BIOSCIENCES, INC. (US) 1998-05-14 — — WO claimed
US-20240218014-A1 SYNTHESIS OF A CYCLIC PEPTIDE JANSSEN PHARMACEUTICA NV (BE) 2024-07-04 — — US disclosed
WO-2024133853-A1 BIS-ESTER AND AMIDE CATIONIC LIPIDS SANOFI (FR) 2024-06-27 — — WO disclosed
EP-0035046-A1 Novel tetrazole derivatives, process for the preparation thereof, and anti-ulcer composition containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-09-09 — — EP disclosed
US-3971825-A (5,6) (10,11) BIS-METHYLENE, BRONCHODILATORS SANKYO COMPANY LIMITED (JA) 1976-07-27 — — 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 (5 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-20240218014-A1 SYNTHESIS OF A CYCLIC PEPTIDE VIP, QPCT, PTMS CYP1A2 4134/4885TDP1 3845/4885ALDH1A1 4766/4885
US-20050153291-A1 Multifunctional reagent for the synthesis of thiol modified oligomers CBR3, NOX3, CBR1 CYP1A2 1761/4885TDP1 4199/4885ALDH1A1 3696/4885
US-10577459-B2 Aliphatic poly(ester)s with thiol pendant groups PARG, TST, CBS CYP1A2 2443/4885TDP1 2088/4885ALDH1A1 431/4885
US-20180305495-A1 ALIPHATIC POLY(ESTER)S WITH THIOL PENDANT GROUPS PARG, TST, CBS CYP1A2 2443/4885TDP1 2088/4885ALDH1A1 431/4885
US-20060173199-A1 Method of preparation of heterocyclic molecules with pharmaceutical, pharmaceutical excipient, cosmeceutical, agrochemical and industrial uses LSS, DHPS, CYP51A1 CYP1A2 91/4885TDP1 2430/4885ALDH1A1 1435/4885

“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.

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