SCHEMBL3495261

SCHEMBL3495261

COC(=O)c1ncc2c(ccn2Cc2ccc(F)cc2)c1O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
GAA P10253 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HSP90B1 P14625 1/20 0.45
EGLN1 Q9GZT9 11/20 0.44
KDM4E B2RXH2 1/20 0.44
MAOB P27338 1/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
MAPT P10636 2/20 0.42
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 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
SCHEMBL2881519 0.89 NPC1 (0.46) L3MBTL1GAAEGLN1KDM4EMAOB
SCHEMBL14533492 0.89 L3MBTL1 (0.44) L3MBTL1GAAHSP90AA1HSP90B1KDM4E
SCHEMBL4804260 0.88 EGLN1 (0.47) L3MBTL1GAAEGLN1MAOB
SCHEMBL4802034 0.88 L3MBTL1 (0.43) L3MBTL1GAAHSP90AA1HSP90B1KDM4E
SCHEMBL14533491 0.87 L3MBTL1 (0.43) L3MBTL1GAAHSP90AA1HSP90B1KDM4E
SCHEMBL4807840 0.86 EGLN1 (0.58) EGLN1MAOB
SCHEMBL4803201 0.85 HDAC3 (0.48) EGLN1MAOB
SCHEMBL4964809 0.84 KDM4E (0.40) L3MBTL1GAAHSP90AA1HSP90B1KDM4E
SCHEMBL3495381 0.84 L3MBTL1 (0.40) L3MBTL1GAAHSP90AA1HSP90B1KDM4E
SCHEMBL4966198 0.83 MAOB (0.39) L3MBTL1GAAHSP90AA1HSP90B1KDM4E

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 22 patents — showing the first 20. 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-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2010-06-03 US disclosed
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
US-7692014-B2 Inhibitors of the HIV integrase enzyme PFIZER, INC. (US) 2010-04-06 US disclosed
US-7692014-B2 Inhibitors of the HIV integrase enzyme PFIZER, INC. (US) 2010-04-06 US disclosed
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
EP-1873155-A1 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-01-02 EP disclosed
US-20070232644-A1 1-(2,4-difluorobenzyl)-N-hydroxy-3-{[3-(methylsulfonyl)pyrrolidin-1-yl]methyl}-1H-pyrrolo[2,3-c]pyridine-5-carboxamide;acquired immunodeficiency syndrome (\"AIDS\"), and AIDS related complex (\"ARC\") PFIZER INC. 2007-10-04 US disclosed
EP-1751157-B1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER (US) 2007-10-03 EP disclosed
EP-1802619-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME Pfizer, Inc. (US) 2007-07-04 EP disclosed
EP-1756103-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS Pfizer, Inc. (US) 2007-02-28 EP disclosed
EP-1751157-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. (US) 2007-02-14 EP disclosed
WO-2006027694-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. (US) 2006-03-16 WO disclosed
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 US disclosed
US-20050277661-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC. 2005-12-15 US disclosed
WO-2005103051-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. (US) 2005-11-03 WO disclosed
WO-2005103003-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS PFIZER INC. (US) 2005-11-03 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 (4 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-20070232644-A1 1-(2,4-difluorobenzyl)-N-hydroxy-3-{[3-(methylsulfonyl)pyrrolidin-1-yl]methyl}-1H-pyrrolo[2,3-c]pyridine-5-carboxamide;acquired immunodeficiency syndrome (\"AIDS\"), and AIDS related complex (\"ARC\") AP1M1, AP1G1, AP3B1 L3MBTL1 2820/4885GAA 2452/4885HSP90AA1 1333/4885
US-20050277662-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP L3MBTL1 1389/4885GAA 47/4885HSP90AA1 3620/4885
US-20050277661-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP L3MBTL1 1389/4885GAA 47/4885HSP90AA1 3620/4885
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, INTS9, TYMP L3MBTL1 1389/4885GAA 47/4885HSP90AA1 3620/4885

“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.