SCHEMBL13858882

SCHEMBL13858882

[O]c1ccc([N+](=O)[O-])c(CO)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
ALDH1A1 P00352 2/20 0.44
CA12 O43570 1/20 0.41
SNCA P37840 2/20 0.40
GPR35 Q9HC97 2/20 0.40
CTSB P07858 1/20 0.39
CASP6 P55212 1/20 0.39
CYP3A4 P08684 1/20 0.38
TDP1 Q9NUW8 3/20 0.38
CYP1A2 P05177 1/20 0.38
MAPK1 P28482 1/20 0.37
ATM Q13315 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL8832188 0.81 GPR35 (0.58) TSHRALDH1A1CA12GPR35CYP3A4
SCHEMBL1589671 0.81 BACE1 (0.50) TSHRALDH1A1CA12SNCAGPR35
SCHEMBL29901077 0.81 BACE1 (0.50) TSHRALDH1A1CA12SNCAGPR35
SCHEMBL31672310 0.79 TSHR (0.60) TSHRALDH1A1GPR35CYP3A4
SCHEMBL16951743 0.79 ALDH1A1 (0.43) TSHRALDH1A1CA12SNCAGPR35
SCHEMBL2768561 0.79 TDP1 (0.58) TSHRALDH1A1CA12SNCAGPR35
SCHEMBL2766494 0.79 TDP1 (0.58) TSHRALDH1A1CA12SNCAGPR35
SCHEMBL68181 0.79 TSHR (0.58) TSHRALDH1A1CYP3A4CYP1A2MAPK1
SCHEMBL68019 0.79 TSHR (0.60) TSHRALDH1A1GPR35CYP3A4
SCHEMBL31164660 0.79 ALDH1A1 (0.43) TSHRALDH1A1CA12SNCAGPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112271228-A Luminescent solar concentrator comprising disubstituted benzoheterodiazole compounds 艾尼股份公司 2021-01-26 CN disclosed
US-10312395-B2 Luminescent solar concentrator comprising disubstituted benzoheterodiazole compounds ENI S.P.A. (IT) 2019-06-04 US disclosed
EP-3198658-B1 LUMINESCENT SOLAR CONCENTRATOR COMPRISING DISUBSTITUTED BENZOHETERODIAZOLE COMPOUNDS ENI SPA (IT) 2018-12-12 EP disclosed
US-20170250300-A1 LUMINESCENT SOLAR CONCENTRATOR COMPRISING DISUBSTITUTED BENZOHETERODIAZOLE COMPOUNDS ENI S.P.A. (IT) 2017-08-31 US disclosed
EP-3198658-A1 LUMINESCENT SOLAR CONCENTRATOR COMPRISING DISUBSTITUTED BENZOHETERODIAZOLE COMPOUNDS ENI S.p.A. (IT) 2017-08-02 EP disclosed
US-9234225-B2 Method for generating human milk oligosaccharides (HMOs) or precursors thereof GLYCOM A/S (DK) 2016-01-12 US disclosed
US-20150183816-A1 MODIFIED GALACTOOLIGOSACCHARIDES GLYCOM A/S (DK) 2015-07-02 US disclosed
US-20150182549-A1 METHOD FOR ENZYMATIC GLYCOSYLATION OF OLIGOSACCHARIDES FROM MAMMALIAN ANIMAL MILK GLYCOM A/S (DK) 2015-07-02 US disclosed
EP-2864492-A1 MODIFIED GALACTOOLIGOSACCHARIDES Glycom A/S (DK) 2015-04-29 EP disclosed
EP-2864344-A1 METHOD FOR ENZYMATIC GLYCOSYLATION OF OLIGOSACCHARIDES FROM MAMMALIAN ANIMAL MILK Glycom A/S (DK) 2015-04-29 EP disclosed
US-20140234912-A1 METHOD FOR GENERATING HUMAN MILK OLIGOSACCHARIDES (HMOs) OR PRECURSORS THEREOF GLYCOM A/S (DK) 2014-08-21 US disclosed
EP-2707493-A1 METHOD FOR GENERATING HUMAN MILK OLIGOSACCHARIDES (HMOs) OR PRECURSORS THEREOF Glycom A/S (DK) 2014-03-19 EP disclosed
CN-103562401-A Method for producing human milk oligosaccharides (HMOs) or precursors thereof GLYCOM AS 2014-02-05 CN disclosed
WO-2013190531-A1 GLYCOSYLATED GALACTOSYL DISACCHARIDES, METHODS FOR THEIR PRODUCTION AND THEIR USE IN CONSUMABLE PRODUCTS GLYCOM A/S (DK) 2013-12-27 WO disclosed
WO-2013190529-A1 GLYCOSYLATED GALACTOSYL DISACCHARDDES, METHODS FOR THEIR PRODUCTION AND THEIR USE IN CONSUMABLE PRODUCTS GLYCOM A/S (DK) 2013-12-27 WO disclosed
WO-2013190530-A1 MODIFIED GALACTOOLIGOSACCHARIDES GLYCOM A/S (DK) 2013-12-27 WO disclosed
WO-2012156897-A1 METHOD FOR GENERATING HUMAN MILK OLIGOSACCHARIDES (HMOs) OR PRECURSORS THEREOF GLYCOM A/S (DK) 2012-11-22 WO 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-20170250300-A1 LUMINESCENT SOLAR CONCENTRATOR COMPRISING DISUBSTITUTED BENZOHETERODIAZOLE COMPOUNDS SCO2, SCLY, SLC39A7 TSHR 1085/4885ALDH1A1 2766/4885CA12 1455/4885
US-20150182549-A1 METHOD FOR ENZYMATIC GLYCOSYLATION OF OLIGOSACCHARIDES FROM MAMMALIAN ANIMAL MILK GALE, SI, FUT6 TSHR 1565/4885ALDH1A1 786/4885CA12 464/4885
US-10312395-B2 Luminescent solar concentrator comprising disubstituted benzoheterodiazole compounds SCO2, SLC39A7, SCLY TSHR 895/4885ALDH1A1 3009/4885CA12 1572/4885
US-20150183816-A1 MODIFIED GALACTOOLIGOSACCHARIDES FUT6, GALE, FUT5 TSHR 2455/4885ALDH1A1 1176/4885CA12 174/4885
US-20140234912-A1 METHOD FOR GENERATING HUMAN MILK OLIGOSACCHARIDES (HMOs) OR PRECURSORS THEREOF LCT, B4GALT1, GALNT1 TSHR 1372/4885ALDH1A1 2229/4885CA12 1382/4885

“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.