SCHEMBL3495381

SCHEMBL3495381

COC(=O)c1ncc2c(ccn2Cc2ccc(F)cc2)c1OC(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAOB P27338 1/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90B1 P14625 1/20 0.39
LMNA P02545 3/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
MAPT P10636 4/20 0.39
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
TP53 P04637 3/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
JAK2 O60674 1/20 0.36

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
SCHEMBL4802034 0.89 L3MBTL1 (0.43) L3MBTL1KDM4EMAOBHSP90AA1HSP90B1
SCHEMBL3494295 0.86 MAOB (0.38) L3MBTL1KDM4EMAOBHSP90AA1HSP90B1
SCHEMBL3495261 0.84 L3MBTL1 (0.45) L3MBTL1KDM4EMAOBHSP90AA1HSP90B1
SCHEMBL14533492 0.84 L3MBTL1 (0.44) L3MBTL1KDM4EMAOBHSP90AA1HSP90B1
SCHEMBL14533491 0.82 L3MBTL1 (0.43) L3MBTL1KDM4EMAOBHSP90AA1HSP90B1
SCHEMBL4803225 0.80 EGLN1 (0.43) L3MBTL1KDM4EMAOBLMNAGAA
SCHEMBL4964809 0.80 KDM4E (0.40) L3MBTL1KDM4EMAOBHSP90AA1HSP90B1
SCHEMBL4966198 0.79 MAOB (0.39) L3MBTL1KDM4EMAOBHSP90AA1HSP90B1
SCHEMBL4965274 0.77 HSP90AA1 (0.42) L3MBTL1KDM4EMAOBHSP90AA1HSP90B1
SCHEMBL3495187 0.77 MAPT (0.38) L3MBTL1KDM4EMAOBLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2010-06-03 US disclosed
US-7692014-B2 Inhibitors of the HIV integrase enzyme PFIZER, INC. (US) 2010-04-06 US disclosed
EP-1873155-A1 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-01-02 EP disclosed
EP-1751157-B1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER (US) 2007-10-03 EP disclosed
US-20050277661-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC. 2005-12-15 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 (2 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-20050277661-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP L3MBTL1 1389/4885KDM4E 821/4885MAOB 979/4885
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, INTS9, TYMP L3MBTL1 1389/4885KDM4E 821/4885MAOB 979/4885

“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.