SCHEMBL5767907

SCHEMBL5767907

COc1ccc(CN2C(=O)c3c(c(O)c4nccnc4c3O)C2=O)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.45
EGLN1 Q9GZT9 7/20 0.44
APLNR P35414 1/20 0.43
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
GRM5 P41594 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL5768267 0.91 HSD17B10 (0.43) KDM4ETSHRGRM5
SCHEMBL4146440 0.89 KDM4E (0.45) KDM4EMAPK1EGLN1ALDH1A1TSHR
SCHEMBL14573839 0.86 KDM4E (0.42) KDM4EMAPK1EGLN1ALDH1A1TSHR
SCHEMBL5768580 0.84 MEN1 (0.55) KDM4EALDH1A1TSHRMAPT
SCHEMBL6100789 0.81 CMA1 (0.53) KDM4EMAPK1ALDH1A1MAPT
SCHEMBL5770231 0.79 GAA (0.44) KDM4EALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL12378291 0.78 EGLN1 (0.41) KDM4EEGLN1SMN1; SMN2
SCHEMBL5766283 0.78 MEN1 (0.39) KDM4EMAPK1ALDH1A1TSHRSMN1; SMN2
SCHEMBL19577090 0.76 APLNR (0.54) KDM4EMAPK1APLNRALDH1A1TSHR
SCHEMBL382858 0.76 KDM4E (0.51) KDM4EMAPK1ALDH1A1GRM5SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM4E 4133/4885MAPK1 1746/4885EGLN1 2015/4885

“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.