SCHEMBL5768752

SCHEMBL5768752

CN1C(=O)c2c(c(O)c3cc(Cl)c(Cl)cc3c2O)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
ALDH1A1 P00352 7/20 0.36
KDM4E B2RXH2 6/20 0.36
HPGD P15428 6/20 0.36
MCL1 Q07820 1/20 0.35
HSD17B10 Q99714 2/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
RECQL P46063 1/20 0.34
GRIN2D O15399 2/20 0.34
GRIN3B O60391 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2A Q12879 2/20 0.34
GRIN2B Q13224 2/20 0.34
GRIN2C Q14957 2/20 0.34
GRIN3A Q8TCU5 2/20 0.34
GLA P06280 5/20 0.34
GAA P10253 5/20 0.34
HIF1A Q16665 4/20 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
SCHEMBL17193053 0.78 MGAM (0.34) ALDH1A1KDM4EHPGDMCL1HSD17B10
SCHEMBL20756369 0.76 MEN1 (0.48) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL5766213 0.76 NQO1 (0.41) ALDH1A1KDM4EMCL1MAPTMAOB
SCHEMBL5766259 0.75 MAPT (0.49) ALDH1A1KDM4EHPGDMCL1HSD17B10
SCHEMBL5769697 0.73 MAPT (0.33) MAPTKMT2ACASP3
SCHEMBL17303441 0.73 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL6101793 0.73 ALDH1A1 (0.38) CA12CA9ALDH1A1KDM4EHPGD
SCHEMBL5794768 0.72 MAPT (0.46) ALDH1A1KDM4EHPGDMCL1HSD17B10
SCHEMBL19426182 0.71 ALDH1A1 (0.33) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL9133388 0.71 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDHSD17B10CYP3A4

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 CA12 4585/4885CA9 1900/4885ALDH1A1 1124/4885

“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.