SCHEMBL6323875

SCHEMBL6323875

CCOC(=O)Cn1c2ccccc2c(=O)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
RAB9A P51151 1/20 0.56
ALDH1A1 P00352 6/20 0.52
MAPT P10636 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
P2RX4 Q99571 1/20 0.50
LMNA P02545 1/20 0.50
IRAK1 P51617 1/20 0.50
IRAK4 Q9NWZ3 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
HPGD P15428 2/20 0.47
SAE1 Q9UBE0 2/20 0.47
UBA2 Q9UBT2 2/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 2/20 0.46
POLB P06746 2/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL11824449 0.87 MAPT (0.67) KDM4ERAB9AALDH1A1MAPTMEN1
SCHEMBL31372463 0.84 KDM4E (0.70) KDM4ERAB9AALDH1A1MAPTMEN1
SCHEMBL13066068 0.84 KDM4E (0.70) KDM4ERAB9AALDH1A1MAPTMEN1
SCHEMBL6324187 0.81 KDM4E (0.60) KDM4ERAB9AALDH1A1MAPTMEN1
SCHEMBL352528 0.79 MAPT (0.51) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL26633067 0.79 CYP1A2 (0.64) KDM4ERAB9AALDH1A1MAPTMEN1
SCHEMBL20226054 0.79 MAPT (0.64) KDM4ERAB9AALDH1A1MAPTMEN1
SCHEMBL151122 0.78 KDM4E (0.71) KDM4ERAB9AALDH1A1MAPTMEN1
SCHEMBL29540705 0.78 KDM4E (0.71) KDM4ERAB9AALDH1A1MAPTMEN1
SCHEMBL14979223 0.76 TDP1 (0.53) KDM4ERAB9AALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124664-A1 Urea thiadiazole inhibitors of plasminogen activator inhibior-1 BRISTOL-MYERS SQUIBB CO. 2005-06-09 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 (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-20050124664-A1 Urea thiadiazole inhibitors of plasminogen activator inhibior-1 SERPINE1, SERPINC1, SERPINB1 KDM4E 4669/4885RAB9A 3129/4885ALDH1A1 155/4885

“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.