SCHEMBL4803201

SCHEMBL4803201

O=C(NO)c1ncc2c(ccn2Cc2ccc(F)cc2)c1O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
EGLN1 Q9GZT9 17/20 0.47
MAOB P27338 1/20 0.46

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
SCHEMBL14533493 0.87 HDAC6 (0.47) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL4807840 0.87 EGLN1 (0.58) EGLN1MAOB
SCHEMBL4804260 0.87 EGLN1 (0.47) EGLN1MAOB
SCHEMBL2880481 0.87 EGLN1 (0.63) EGLN1
SCHEMBL4801391 0.85 HDAC6 (0.46) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3495261 0.85 L3MBTL1 (0.45) EGLN1MAOB
SCHEMBL4801027 0.84 HDAC1 (0.45) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL4972045 0.83 HDAC6 (0.46) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL4807256 0.83 HDAC1 (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL2881519 0.81 NPC1 (0.46) EGLN1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US claimed
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 claimed
EP-1802619-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME Pfizer, Inc. (US) 2007-07-04 EP claimed
WO-2006027694-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. (US) 2006-03-16 WO claimed
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 US claimed
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
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
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
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-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
WO-2006027694-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. (US) 2006-03-16 WO 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
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 (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-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 HDAC3 237/4885HDAC1 34/4885HDAC2 260/4885
US-20050277662-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP HDAC3 1812/4885HDAC1 626/4885HDAC2 1062/4885

“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.