SCHEMBL5795522

SCHEMBL5795522

CN1C(=O)c2c(c(O)c3cnccc3c2O)C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.46
KDM5A P29375 8/20 0.40
FEN1 P39748 1/20 0.39
ADORA3 P0DMS8 2/20 0.38
ADORA2A P29274 2/20 0.38
EP300 Q09472 1/20 0.37
KAT2B Q92831 1/20 0.37
KAT8 Q9H7Z6 1/20 0.37
FGFR1 P11362 1/20 0.36
FLT1 P17948 1/20 0.36
MAPT P10636 2/20 0.36
CASP3 P42574 1/20 0.36
KDM5B Q9UGL1 2/20 0.36
KDM5C P41229 1/20 0.36
ADK P55263 1/20 0.35
ADORA1 P30542 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPKAPK2 P49137 1/20 0.34
DAO P14920 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL5766259 0.79 MAPT (0.49) MAPTCASP3ADKKDM4E
SCHEMBL9218722 0.76 EP300 (0.50) KDM5AADORA3ADORA2AEP300KAT2B
SCHEMBL5769697 0.73 MAPT (0.33) CHEK1MAPTCASP3
SCHEMBL5766213 0.71 NQO1 (0.41) MAPTCASP3KDM4ENPSR1
SCHEMBL5768906 0.71 HTT (0.44) ADORA3MAPTKDM5CKDM4ENPSR1
SCHEMBL20222947 0.70 CHEK1 (0.40) CHEK1FEN1ADORA3ADORA2AKAT2B
SCHEMBL5769652 0.69 MAPT (0.33) CHEK1MAPTCASP3ADK
SCHEMBL5768752 0.68 CA12 (0.37) MAPTCASP3KDM4E
SCHEMBL5794768 0.68 MAPT (0.46) ADORA3MAPTCASP3KDM4ENPSR1
SCHEMBL5793783 0.65 KMT2A (0.39) FEN1KAT2BMAPTCASP3KDM4E

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-20060211724-A1 Hiv integrase inhibitors VERSCHUEREN GASTON W 2006-09-21 US claimed
EP-1625130-A2 HIV INTEGRASE INHIBITORS Tibotec Pharmaceuticals Ltd. (IE) 2006-02-15 EP claimed
WO-2004096807-A2 HIV INTEGRASE INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2004-11-11 WO claimed
US-20060211724-A1 Hiv integrase inhibitors VERSCHUEREN GASTON W 2006-09-21 US disclosed
EP-1625130-A2 HIV INTEGRASE INHIBITORS Tibotec Pharmaceuticals Ltd. (IE) 2006-02-15 EP disclosed
WO-2004096807-A2 HIV INTEGRASE INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2004-11-11 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-20060211724-A1 Hiv integrase inhibitors SULT1A1, SULT2A1, SULT1E1 CHEK1 3530/4885KDM5A 2790/4885FEN1 531/4885

“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.