SCHEMBL891444

SCHEMBL891444

[CH2]CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
POLB P06746 2/20 0.55
PKM P14618 2/20 0.55
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 3/20 0.54
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
MAPK1 P28482 2/20 0.50
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KAT2B Q92831 2/20 0.48
TDP1 Q9NUW8 1/20 0.47
HCAR3 P49019 1/20 0.47
PRSS1 P07477 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL8107611 0.90 MAPT (0.60) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL8744502 0.89 MAPT (0.58) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL8147273 0.87 MAPT (0.65) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL502704 0.84 KAT2B (0.58) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL14063303 0.84 HCAR3 (0.65) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL6745448 0.84 MAPT (0.59) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL29375013 0.84 KAT2B (0.58) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL563763 0.84 PKM (0.67) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL9663877 0.83 MAPT (0.56) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL9051771 0.83 BCHE (0.57) MAPTPOLBPKMKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210316288-A1 HYBRID MATERIAL AND METHOD FOR THE PRODUCTION THEREOF UNIVERSITE PIERRE ET MARIE CURIE (FR) 2021-10-14 US claimed
CN-101641155-B Hybrid material, and method for the production UNIV PARIS CURIE 2013-07-10 CN claimed
JP-2011527765-A 2011-11-04 JP claimed
EP-2303970-A1 TREATED METAL OXIDE PARTICLES AND TONER COMPOSITIONS Cabot Corporation (US) 2011-04-06 EP claimed
CN-101641155-A Hybrid material and preparation method thereof UNIV PARIS CURIE FR 2010-02-03 CN claimed
WO-2010005492-A1 TREATED METAL OXIDE PARTICLES AND TONER COMPOSITIONS CABOT CORPORATION (US) 2010-01-14 WO claimed
US-20210316288-A1 HYBRID MATERIAL AND METHOD FOR THE PRODUCTION THEREOF UNIVERSITE PIERRE ET MARIE CURIE (FR) 2021-10-14 US disclosed
US-9790484-B2 Silica encapsulated biomaterials REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2017-10-17 US disclosed
US-9427408-B2 Silica-matrix forming compositions, materials formed therefrom, and methods of using the same Kasinkas, Lisa (US) 2016-08-30 US disclosed
CN-105246823-A Beverage dispenser comprising an aerogel insulated python and method of manufacturing such a python CARLSBERG BREWERIES AS 2016-01-13 CN disclosed
US-9121002-B2 Enzymatic modifications of a cellular monolithic carbon and uses thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-09-01 US disclosed
US-8865619-B2 Method for storing hydrogen in a porous monolithic material, composite material obtained, and applications UNIVERSITE PIERRE ET MARIE CURIE (PARIS 6) (FR) 2014-10-21 US disclosed
US-8865618-B2 Method for preparing a cellular carbon monolith comprising a hierarchised porous network UNIVERSITE PIERRE ET MARIE CURIE (FR) 2014-10-21 US disclosed
US-20130101905-A1 ENZYMATIC MODIFICATIONS OF A CELLULAR MONOLITHIC CARBON AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-04-25 US disclosed
US-20120196337-A1 HETEROGENOUS ENZYMATIC CATALYST, PREPARATION METHOD, AND USE UNIVERSITE PIERRE ET MARIE CURIE (FR) 2012-08-02 US disclosed
US-20120082615-A1 METHOD FOR STORING HYDROGEN IN A POROUS MONOLITHIC MATERIAL, COMPOSITE MATERIAL OBTAINED, AND APPLICATIONS UNIVERSITE PIERRE ET MARIE CURIE (PARIS 6) (FR) 2012-04-05 US disclosed
US-20110262993-A1 METHOD FOR PREPARING A CELLULAR CARBON MONOLITH COMPRISING A HIERARCHISED POROUS NETWORK UNIVERSITE PIERRE ET MARIE CURIE (FR) 2011-10-27 US disclosed
CN-101641155-A Hybrid material and preparation method thereof UNIV PARIS CURIE FR 2010-02-03 CN disclosed
CN-1277880-C Resin composition, filler and method for producing resin composition NISSAN MOTOR (JP) 2006-10-04 CN disclosed
CN-1530396-A Resin composition, filler and method for producing resin composition �ղ��Զ�����ʽ���� 2004-09-22 CN 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 (1 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-20210316288-A1 HYBRID MATERIAL AND METHOD FOR THE PRODUCTION THEREOF MAX, METTL14, DDAH1 MAPT 3162/4885POLB 3209/4885PKM 2176/4885

“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.