SCHEMBL2967503

SCHEMBL2967503

O=C(O)c1ccc([N+](=O)[O-])cc1CC1CO1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HTT P42858 2/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 4/20 0.43
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CYP1A2 P05177 1/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 1/20 0.41
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
HSP90AA1 P07900 1/20 0.40
PLA2G1B P04054 1/20 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
SCHEMBL14762196 1.00 ALDH1A1 (0.50) ALDH1A1CYP3A4ALOX15TDP1HTT
SCHEMBL8898161 1.00 ALDH1A1 (0.50) ALDH1A1CYP3A4ALOX15TDP1HTT
SCHEMBL4621023 0.84 PRMT5 (0.54) ALDH1A1CYP3A4ALOX15TDP1HTT
SCHEMBL4621022 0.84 PRMT5 (0.54) ALDH1A1CYP3A4ALOX15TDP1HTT
SCHEMBL27363176 0.79 ALDH1A1 (0.42) ALDH1A1TDP1HTTTP53MAPT
SCHEMBL28068351 0.79 ALDH1A1 (0.62) ALDH1A1CYP3A4ALOX15TDP1HTT
SCHEMBL8991531 0.78 ALDH1A1 (0.46) ALDH1A1TDP1MAPTKMT2AMAOA
SCHEMBL16052639 0.78 PRMT5 (0.46) ALDH1A1CYP3A4ALOX15TDP1PRMT5
SCHEMBL10477956 0.78 PRMT5 (0.46) ALDH1A1CYP3A4ALOX15TDP1PRMT5
SCHEMBL10477957 0.78 PRMT5 (0.46) ALDH1A1CYP3A4ALOX15TDP1PRMT5

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772334-B2 Crosslinker of reactive functional groups and nonionic metal coordinating structure-containing alkyl or aromatic compound BASF COATINGS GMBH (DE) 2010-08-10 US claimed
US-10098949-B2 Adsorption of immunopotentiators to insoluble metal salts GLAXOSMITHKLINE BIOLOGICALS S.A. (BE) 2018-10-16 US disclosed
CN-105999275-A Adsorption of immunopotentiators to insoluble metal salts 诺华有限公司 2016-10-12 CN disclosed
US-20160213776-A1 ADSORPTION OF IMMUNOPOTENTIATORS TO INSOLUBLE METAL SALTS GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2016-07-28 US disclosed
US-9365506-B2 Compounds and compositions as TLR2 agonists NOVARTIS AG (CH) 2016-06-14 US disclosed
US-9315530-B2 Adsorption of immunopotentiators to insoluble metal salts NOVARTIS AG (CH) 2016-04-19 US disclosed
US-20140323390-A1 COMPOUNDS AND COMPOSITIONS AS TLR2 AGONISTS IRM LLC (BM) 2014-10-30 US disclosed
US-8808703-B2 Compounds (cystein based lipopeptides) and compositions as TLR2 agonists used for treating infections, inflammations, respiratory diseases etc NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2014-08-19 US disclosed
EP-2719395-A1 Adsorption of immunopotentiators to insoluble metal salts Novartis AG (CH) 2014-04-16 EP disclosed
EP-2480253-B1 ADSORPTION OF IMMUNOPOTENTIATORS TO INSOLUBLE METAL SALTS NOVARTIS AG (CH) 2014-01-22 EP disclosed
US-20130274465-A1 ADSORPTION OF IMMUNOPOTENTIATORS TO INSOLUBLE METAL SALTS IRM LLC (BM) 2013-10-17 US disclosed
CN-103313725-A Adsorption of insoluble metal ions by immunopotentiators NOVARTIS AG 2013-09-18 CN disclosed
US-20130065861-A1 COMPOUNDS (CYSTEIN BASED LIPOPEPTIDES) AND COMPOSITIONS AS TLR2 AGONISTS USED FOR TREATING INFECTIONS, INFLAMMATIONS, RESPIRATORY DISEASES ETC. IRM LLC (BM) 2013-03-14 US disclosed
US-20120177681-A1 Formulation of immunopotentiators GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2012-07-12 US disclosed
US-20080213833-A1 Methods for Obtaining Optically Active Glycidyl Ethers and Optically Active Vicinal Diols from Racemic Substrates OXRANE (UK) LTD. (GB) 2008-09-04 US disclosed
US-5622137-A FOR USE IN TESTING COOKED FOODS TRANS WORLD SERVICES (US) 1997-04-22 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 (7 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-20140323390-A1 COMPOUNDS AND COMPOSITIONS AS TLR2 AGONISTS TLR2, TLR1, TLR3 ALDH1A1 4593/4885CYP3A4 4591/4885ALOX15 328/4885
US-20130065861-A1 COMPOUNDS (CYSTEIN BASED LIPOPEPTIDES) AND COMPOSITIONS AS TLR2 AGONISTS USED FOR TREATING INFECTIONS, INFLAMMATIONS, RESPIRATORY DISEASES ETC. TLR2, TLR4, TLR3 ALDH1A1 4828/4885CYP3A4 2766/4885ALOX15 144/4885
US-20130274465-A1 ADSORPTION OF IMMUNOPOTENTIATORS TO INSOLUBLE METAL SALTS CD69, CD209, CD4 ALDH1A1 3185/4885CYP3A4 2670/4885ALOX15 1042/4885
US-20080213833-A1 Methods for Obtaining Optically Active Glycidyl Ethers and Optically Active Vicinal Diols from Racemic Substrates GALE, DERA, GNE ALDH1A1 663/4885CYP3A4 964/4885ALOX15 870/4885
US-10098949-B2 Adsorption of immunopotentiators to insoluble metal salts CD69, NFATC1, CD209 ALDH1A1 2724/4885CYP3A4 3090/4885ALOX15 1053/4885
US-20120177681-A1 Formulation of immunopotentiators CD69, CD4, ICOS ALDH1A1 2822/4885CYP3A4 2345/4885ALOX15 415/4885
US-20160213776-A1 ADSORPTION OF IMMUNOPOTENTIATORS TO INSOLUBLE METAL SALTS CD69, CD209, CD4 ALDH1A1 3185/4885CYP3A4 2670/4885ALOX15 1042/4885

“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.