SCHEMBL13953865

SCHEMBL13953865

CCOc1nsnc1N1CCOCC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.69
ALDH1A1 P00352 7/20 0.63
MAPK1 P28482 3/20 0.63
ALOX15 P16050 2/20 0.63
HSD17B10 Q99714 2/20 0.63
TSHR P16473 2/20 0.63
HTT P42858 3/20 0.62
NPSR1 Q6W5P4 1/20 0.62
HPGD P15428 2/20 0.59
MAPT P10636 2/20 0.57
KDM4E B2RXH2 1/20 0.57
TDP1 Q9NUW8 2/20 0.56
CYP1A2 P05177 1/20 0.56
ADRB2 P07550 1/20 0.56
ADRB1 P08588 1/20 0.56
CYP3A4 P08684 1/20 0.56
HTR1A P08908 1/20 0.56
CYP2D6 P10635 1/20 0.56
ADRB3 P13945 1/20 0.56
NFKB1 P19838 1/20 0.56

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
SCHEMBL18908562 0.82 CYP1A2 (0.71) KMT2AALDH1A1MAPK1ALOX15HSD17B10
SCHEMBL30673515 0.81 CYP1A2 (0.67) KMT2AALDH1A1MAPK1ALOX15HSD17B10
SCHEMBL11529594 0.80 HTT (0.61) KMT2AALDH1A1MAPK1ALOX15HSD17B10
SCHEMBL1588109 0.79 ALDH1A1 (0.58) KMT2AALDH1A1MAPK1ALOX15HSD17B10
SCHEMBL10338456 0.79 ALDH1A1 (0.58) KMT2AALDH1A1MAPK1ALOX15HSD17B10
SCHEMBL1587116 0.79 ALDH1A1 (0.58) KMT2AALDH1A1MAPK1ALOX15HSD17B10
SCHEMBL28154948 0.79 CYP1A2 (0.55) KMT2AALDH1A1MAPK1ALOX15HSD17B10
SCHEMBL19872020 0.78 ALDH1A1 (0.56) KMT2AALDH1A1MAPK1ALOX15HSD17B10
SCHEMBL11528671 0.77 TDP1 (0.69) KMT2AALDH1A1MAPK1ALOX15HSD17B10
SCHEMBL18532431 0.77 KMT2A (0.58) KMT2AALDH1A1MAPK1ALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210330606-A1 GLUCOSE CONSUMPTION ACCELERATOR AND GLYCOLYSIS ACCELERATOR SHINKO SANGYO CO., LTD. (JP) 2021-10-28 US disclosed
WO-2020026471-A1 GLUCOSE CONSUMPTION PROMOTER AND GLYCOLYSIS PROMOTER 株式会社親広産業 2020-02-06 WO disclosed
WO-2020026570-A1 GLUCOSE CONSUMPTION PROMOTER AND GLYCOLYSIS PROMOTER 株式会社親広産業 2020-02-06 WO disclosed
EP-1748994-B1 NITROOXYDERIVATIVES OF ANTIHYPERTENSIVE DRUGS NICOX SA (FR) 2009-02-18 EP disclosed
US-20070060586-A1 Nitrooxyderivatives of antihypertensive drugs NICOX S.A. (FR) 2007-03-15 US disclosed
US-20070060586-A1 Nitrooxyderivatives of antihypertensive drugs NICOX S.A. (FR) 2007-03-15 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 (2 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-20070060586-A1 Nitrooxyderivatives of antihypertensive drugs ADRB2, ADRB1, ADRA2B KMT2A 3418/4885ALDH1A1 942/4885MAPK1 2054/4885
US-20210330606-A1 GLUCOSE CONSUMPTION ACCELERATOR AND GLYCOLYSIS ACCELERATOR SLC2A1, SLC2A2, SLC2A8 KMT2A 211/4885ALDH1A1 1144/4885MAPK1 259/4885

“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.