SCHEMBL6104751

SCHEMBL6104751

COc1ccc2nc(O)cc(O)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
POLB P06746 4/20 0.50
HSD17B10 Q99714 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
LMNA P02545 3/20 0.47
TRIM24 O15164 1/20 0.47
TYR P14679 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
NQO2 P16083 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
APP P05067 2/20 0.45
HTT P42858 1/20 0.45
PLA2G2A P14555 1/20 0.44
RAD52 P43351 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL1043638 0.84 KDM4E (0.65) KDM4EPOLBHSD17B10ALDH1A1HPGD
SCHEMBL9849499 0.84 POLB (0.62) KDM4EPOLBHSD17B10ALDH1A1HPGD
SCHEMBL11384616 0.83 NCF1 (0.56) KDM4EPOLBHSD17B10ALDH1A1HPGD
SCHEMBL25912335 0.83 DHODH (0.48) KDM4EPOLBHSD17B10ALDH1A1HPGD
SCHEMBL15798322 0.80 KDM4E (0.73) KDM4EPOLBHSD17B10ALDH1A1HPGD
SCHEMBL4480591 0.80 PLA2G2A (0.64) KDM4EALDH1A1HPGDLMNAMEN1
SCHEMBL281969 0.80 KDM4E (0.56) KDM4EPOLBHSD17B10ALDH1A1HPGD
SCHEMBL6652546 0.79 ABCC8 (0.47) KDM4EPOLBHSD17B10ALDH1A1HPGD
SCHEMBL10610678 0.79 KDM4E (0.71) KDM4EALDH1A1HPGDLMNANQO2
SCHEMBL9359863 0.79 ALDH1A1 (0.47) KDM4EPOLBHSD17B10ALDH1A1HPGD

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-7060834-B2 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2006-06-13 US disclosed
US-20040266819-A1 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2004-12-30 US disclosed
EP-1430029-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2004-06-23 EP disclosed
WO-2003018560-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2003-03-06 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-20040266819-A1 N-type calcium channel antagonists for the treatment of pain CACNA1E, CACNA1B, CACNA1G KDM4E 4507/4885POLB 4496/4885HSD17B10 4082/4885

“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.