SCHEMBL2945792

SCHEMBL2945792

CCn1cc(Cc2cc(F)ccc2O)c2cnc(C(=O)NO)cc21

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 6/20 0.37
ANO1 Q5XXA6 6/20 0.37
HDAC1 Q13547 3/20 0.35
HDAC3 O15379 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
PDE10A Q9Y233 2/20 0.33
SMPD1 P17405 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL1684272 0.88 HIF1A (0.40) MAP3K5ANO1HDAC1HDAC3HDAC2
SCHEMBL1684172 0.86 MAP3K5 (0.35) MAP3K5ANO1HDAC1PDE10AHDAC8
SCHEMBL2943196 0.85 LMNA (0.41) MAP3K5CNR2
SCHEMBL2944828 0.84 MAP3K5 (0.35) MAP3K5CNR2
SCHEMBL2945330 0.83 MAP3K5 (0.35) MAP3K5HDAC1HDAC3HDAC2HDAC6
SCHEMBL2951301 0.81 MMP1 (0.39) MAP3K5PDE10ASMPD1HDAC8
SCHEMBL2945403 0.80 POLB (0.44) PDE10A
SCHEMBL2951342 0.79 MAPT (0.46)
SCHEMBL13515734 0.78 ANO1 (0.39) MAP3K5ANO1
SCHEMBL4805048 0.77 HDAC6 (0.50) HDAC1HDAC3HDAC2HDAC6CNR1

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
EP-1558611-B1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER (US) 2010-01-06 EP claimed
US-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC 2008-09-11 US claimed
US-7135482-B2 HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2006-11-14 US claimed
US-20040147547-A1 HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use AGOURON PHARMACEUTICALS, INC. 2004-07-29 US claimed
EP-1558611-B1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER (US) 2010-01-06 EP disclosed
EP-1558611-B1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER (US) 2010-01-06 EP disclosed
US-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC 2008-09-11 US disclosed
US-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC 2008-09-11 US disclosed
US-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC 2008-09-11 US disclosed
US-7368571-B2 HIV-Integrase inhibitors, pharmaceutical compositions and methods for their use PFIZER INC (US) 2008-05-06 US disclosed
US-7368571-B2 HIV-Integrase inhibitors, pharmaceutical compositions and methods for their use PFIZER INC (US) 2008-05-06 US disclosed
US-7368571-B2 HIV-Integrase inhibitors, pharmaceutical compositions and methods for their use PFIZER INC (US) 2008-05-06 US disclosed
US-20070004768-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-20070004768-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-20070004768-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-7135482-B2 HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2006-11-14 US disclosed
US-20040147547-A1 HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use AGOURON PHARMACEUTICALS, INC. 2004-07-29 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 (3 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-20040147547-A1 HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use IMPDH1, POLA1, POLB MAP3K5 3001/4885ANO1 3231/4885HDAC1 13/4885
US-20070004768-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE TYMP, IMPDH1, POLB MAP3K5 2666/4885ANO1 3710/4885HDAC1 31/4885
US-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE TYMP, IMPDH1, POLB MAP3K5 2615/4885ANO1 3771/4885HDAC1 18/4885

“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.