SCHEMBL101947

SCHEMBL101947

O=Nc1ccccc1NO.[Fe]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 2/20 0.37
IDO1 P14902 1/20 0.33
SIGMAR1 Q99720 6/20 0.33
GRIN2D O15399 3/20 0.33
GRIN3B O60391 3/20 0.33
GRIN1 Q05586 3/20 0.33
GRIN2A Q12879 3/20 0.33
GRIN2B Q13224 3/20 0.33
GRIN2C Q14957 3/20 0.33
GRIN3A Q8TCU5 3/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ALOX15 P16050 2/20 0.32

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
SCHEMBL105074 0.98 HTT (0.39) HTTLMNAALDH1A1HSD17B10IDO1
SCHEMBL106000 0.95 HTT (0.38) HTTLMNAALDH1A1HSD17B10IDO1
SCHEMBL21670425 0.95 HTT (0.38) HTTLMNAALDH1A1HSD17B10IDO1
SCHEMBL8680757 0.95 HTT (0.38) HTTLMNAALDH1A1HSD17B10IDO1
SCHEMBL1815831 0.95 HTT (0.38) HTTLMNAALDH1A1HSD17B10IDO1
Hydrochloric Acid SCHEMBL1719169 0.95 HTT (0.38) HTTLMNAALDH1A1HSD17B10IDO1
SCHEMBL8677252 0.95 HTT (0.38) HTTLMNAALDH1A1HSD17B10IDO1
SCHEMBL21670429 0.95 HTT (0.38) HTTLMNAALDH1A1HSD17B10IDO1
Ammonia Solution, Strong SCHEMBL103629 0.95 HTT (0.38) HTTLMNAALDH1A1HSD17B10IDO1
SCHEMBL105654 0.95 HTT (0.38) HTTLMNAALDH1A1HSD17B10IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210308284-A1 METAL ATOM CLUSTER-EMBEDDED MAGNETIC IRON OXIDE NANOPARTICLE (MION), AND PREPARATION METHOD AND APPLICATION THEREOF XI'AN SUPERMAG BIO-NANOTECH CO., LTD. (CN) 2021-10-07 US claimed
US-20150225332-A1 METHOD FOR PRODUCING ALPHA,BETA-UNSATURATED CARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE AND METHOD FOR PRODUCING 3-ALKOXYCARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE IDEMITSU KOSAN CO., LTD. (JP) 2015-08-13 US claimed
US-20140235894-A1 METHOD FOR PRODUCING ALPHA,BETA-UNSATURATED CARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE AND METHOD FOR PRODUCING 3-ALKOXYCARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE IDEMITSU KOSAN CO., LTD. (JP) 2014-08-21 US claimed
EP-2664611-A1 Method for producing alpha,beta-unsaturated carboxylic acid-N,N-disubstituted amide and method for producing 3-alkoxycarboxylic acid-N,N-disubstituted amide Idemitsu Kosan Co., Ltd (JP) 2013-11-20 EP claimed
US-20120088931-A1 METHOD FOR PRODUCING ALPHA,BETA-UNSATURATED CARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE AND METHOD FOR PRODUCING 3-ALKOXYCARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE IDEMITSU KOSAN CO., LTD. (JP) 2012-04-12 US claimed
US-20210308284-A1 METAL ATOM CLUSTER-EMBEDDED MAGNETIC IRON OXIDE NANOPARTICLE (MION), AND PREPARATION METHOD AND APPLICATION THEREOF XI'AN SUPERMAG BIO-NANOTECH CO., LTD. (CN) 2021-10-07 US disclosed
WO-2015140160-A1 MICELLAR NANOPARTICLES CONTAINING ANTITUMORAL GLYCOSIDES FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES CARDIOVASCULARES CARLOS III (ES) 2015-09-24 WO disclosed
EP-2921179-A1 Micellar nanoparticles containing antitumoral glycosides Fundación Centro Nacional de Investigaciones Cardiovasculares Carlos III (CNIC) (ES) 2015-09-23 EP disclosed
US-20150225332-A1 METHOD FOR PRODUCING ALPHA,BETA-UNSATURATED CARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE AND METHOD FOR PRODUCING 3-ALKOXYCARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE IDEMITSU KOSAN CO., LTD. (JP) 2015-08-13 US disclosed
US-20140235894-A1 METHOD FOR PRODUCING ALPHA,BETA-UNSATURATED CARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE AND METHOD FOR PRODUCING 3-ALKOXYCARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE IDEMITSU KOSAN CO., LTD. (JP) 2014-08-21 US disclosed
US-8748659-B2 Method for producing alpha,beta-unsaturated carboxylic acid-N,N-disubstituted amide and method for producing 3-alkoxycarboxylic acid-N,N-disubstituted amide IDEMITSU KOSAN CO., LTD. (JP) 2014-06-10 US disclosed
EP-2664610-A1 Method for producing alpha,beta-unsaturated carboxylic acid-N,N-disubstituted amide and method for producing 3-alkoxycarboxylic acid-N,N-disubstituted amide Idemitsu Kosan Co., Ltd (JP) 2013-11-20 EP disclosed
EP-2664611-A1 Method for producing alpha,beta-unsaturated carboxylic acid-N,N-disubstituted amide and method for producing 3-alkoxycarboxylic acid-N,N-disubstituted amide Idemitsu Kosan Co., Ltd (JP) 2013-11-20 EP disclosed
US-20120088931-A1 METHOD FOR PRODUCING ALPHA,BETA-UNSATURATED CARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE AND METHOD FOR PRODUCING 3-ALKOXYCARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE IDEMITSU KOSAN CO., LTD. (JP) 2012-04-12 US disclosed
EP-2426103-A1 METHOD FOR PRODUCING ALPHA, BETA-UNSATURATED CARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE AND METHOD FOR PRODUCING 3-ALKOXYCARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE Idemitsu Kosan Co., Ltd. (JP) 2012-03-07 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 (3 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-20150225332-A1 METHOD FOR PRODUCING ALPHA,BETA-UNSATURATED CARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE AND METHOD FOR PRODUCING 3-ALKOXYCARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE FASN, NAAA, FAAH HTT 2660/4885LMNA 368/4885ALDH1A1 513/4885
US-20140235894-A1 METHOD FOR PRODUCING ALPHA,BETA-UNSATURATED CARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE AND METHOD FOR PRODUCING 3-ALKOXYCARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE FASN, NAAA, FAAH HTT 2660/4885LMNA 368/4885ALDH1A1 513/4885
US-20120088931-A1 METHOD FOR PRODUCING ALPHA,BETA-UNSATURATED CARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE AND METHOD FOR PRODUCING 3-ALKOXYCARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE FASN, NAAA, FAAH HTT 2660/4885LMNA 368/4885ALDH1A1 513/4885

“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.