SCHEMBL3217690

SCHEMBL3217690

COc1[nH]c2cccc(OC)c2c1C=C[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.50
VCP P55072 5/20 0.46
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
SYK P43405 2/20 0.43
GALR2 O43603 1/20 0.43
EGFR P00533 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FBP1 P09467 2/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
HSP90AA1 P07900 1/20 0.41
IDO1 P14902 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL4072427 0.80 KDM4E (0.47) PRMT1VCPMAPTALDH1A1MAPK1
SCHEMBL4074976 0.79 ABCG2 (0.49) MAPTALDH1A1MAPK1LMNAHTT
SCHEMBL4307858 0.78 PRMT1 (0.66) PRMT1VCPMAPTALDH1A1MAPK1
SCHEMBL4307853 0.78 PRMT1 (0.66) PRMT1VCPMAPTALDH1A1MAPK1
SCHEMBL23493550 0.75 PRMT1 (0.58) PRMT1VCPMAPTALDH1A1MAPK1
SCHEMBL2537326 0.75 PRMT1 (0.58) PRMT1VCPMAPTALDH1A1MAPK1
SCHEMBL2537322 0.75 PRMT1 (0.58) PRMT1VCPMAPTALDH1A1MAPK1
SCHEMBL30418664 0.75 PRMT1 (0.58) PRMT1VCPMAPTALDH1A1MAPK1
SCHEMBL25297704 0.74 PRMT1 (0.50) PRMT1VCPMAPTALDH1A1MAPK1
SCHEMBL25297705 0.74 PRMT1 (0.50) PRMT1VCPMAPTALDH1A1MAPK1

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-8258173-B2 Melatonin derivatives and their use as antioxidants UNIVERSITY OF SUNDERLAND (GB) 2012-09-04 US disclosed
US-20100063125-A1 MELATONIN DERIVATIVES AND THEIR USE AS ANTIOXIDANTS UNIVERSITY OF SUNDERLAND (GB) 2010-03-11 US disclosed
EP-2083818-A2 MELATONIN DERIVATIVES AND THEIR USE AS ANTIOXIDANTS University of Sunderland (GB) 2009-08-05 EP disclosed
WO-2008062167-A2 MELATONIN DERIVATIVES AND THEIR USE AS ANTIOXIDANTS UNIVERSITY OF SUNDERLAND (GB) 2008-05-29 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 (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-20100063125-A1 MELATONIN DERIVATIVES AND THEIR USE AS ANTIOXIDANTS MTNR1A, MTNR1B, TXNRD2 PRMT1 188/4885VCP 4512/4885MAPT 2221/4885

“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.