SCHEMBL5483822

SCHEMBL5483822

CC(=N)NOC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
MAPK1 P28482 2/20 0.56
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
TSHR P16473 1/20 0.51
PKM P14618 1/20 0.51
CES1 P23141 1/20 0.50
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
NQO2 P16083 1/20 0.48
GAA P10253 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 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
SCHEMBL15058988 0.85 TDP1 (0.58) POLBMAPK1KMT2AMEN1TSHR
SCHEMBL306161 0.79 POLB (0.81) POLBMAPK1KMT2AMEN1TSHR
SCHEMBL15058771 0.79 PPARG (0.50) POLBMAPK1KMT2AMEN1TSHR
SCHEMBL11526123 0.79 KCNJ1 (0.52) POLBMAPK1KMT2AMEN1TSHR
SCHEMBL16089346 0.79 MAPK1 (0.67) MAPK1KMT2AMEN1TSHRCES1
SCHEMBL16075909 0.79 MAPK1 (0.67) MAPK1KMT2AMEN1TSHRCES1
SCHEMBL27372795 0.78 KMT2A (0.70) POLBMAPK1KMT2AMEN1CES1
Iodide SCHEMBL22235392 0.78 POLB (0.78) POLBMAPK1KMT2AMEN1TSHR
Methylamine SCHEMBL29169653 0.78 TSHR (0.60) POLBMAPK1KMT2AMEN1TSHR
SCHEMBL5313733 0.77 MAPK1 (0.56) POLBMAPK1KMT2AMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9758480-B2 1-(cycloalkyl-carbonyl)proline derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-09-12 US disclosed
US-20150210640-A1 1-(CYCLOALKYL-CARBONYL)PROLINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-07-30 US disclosed
EP-2876105-A1 1-(CYCLOALKYL-CARBONYL)PROLINE DERIVATIVE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2015-05-27 EP disclosed
US-20070135442-A1 Chroman compounds ASTRAZENECA AB (SE) 2007-06-14 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-20070135442-A1 Chroman compounds CYP3A43, CYP2C9, CYP2C8 POLB 3225/4885MAPK1 2276/4885KMT2A 2880/4885
US-20150210640-A1 1-(CYCLOALKYL-CARBONYL)PROLINE DERIVATIVE RB1, F2, SFPQ POLB 1607/4885MAPK1 1155/4885KMT2A 484/4885

“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.