SCHEMBL1061506

SCHEMBL1061506

Brc1ccc(CSc2ccc3ccccc3n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 3/20 0.50
▸ PRNP P04156 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ L3MBTL1 Q9Y468 4/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ MAOB P27338 1/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ MAPK10 P53779 1/20 0.48
▸ RAB9A P51151 4/20 0.47
▸ ALDH1A1 P00352 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ PTGDR2 Q9Y5Y4 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ GAA P10253 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PTBP1 P26599 1/20 0.41

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
SCHEMBL29177611 0.86 RXFP1 (0.60) RXFP1PRNPKDM4EL3MBTL1SMN1; SMN2
SCHEMBL11189080 0.79 RXFP1 (0.60) RXFP1PRNPKDM4ESMN1; SMN2NPSR1
SCHEMBL29980210 0.78 MAPT (0.57) RXFP1PRNPKDM4ESMN1; SMN2NPSR1
SCHEMBL19810722 0.78 MAPT (0.57) RXFP1PRNPKDM4ESMN1; SMN2NPSR1
SCHEMBL20338474 0.76 RXFP1 (0.49) RXFP1PRNPKDM4EL3MBTL1SMN1; SMN2
SCHEMBL29980096 0.76 RXFP1 (0.49) RXFP1PRNPKDM4EL3MBTL1SMN1; SMN2
SCHEMBL7596357 0.74 PTPN1 (0.48) RXFP1PRNPKDM4ENPSR1MAPK10
SCHEMBL29980697 0.74 MAOB (0.51) RXFP1PRNPKDM4EL3MBTL1SMN1; SMN2
SCHEMBL19810854 0.74 MAOB (0.51) RXFP1PRNPKDM4EL3MBTL1SMN1; SMN2
SCHEMBL4909179 0.74 SMN1; SMN2 (0.43) RXFP1PRNPKDM4EL3MBTL1SMN1; 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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 — — US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 — — US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 — — US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 — — US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 — — US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 — — US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 — — US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 — — US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 — — US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 — — US disclosed
EP-1590340-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2005-11-02 — — EP disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 — — WO disclosed
US-6897220-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2005-05-24 — — US disclosed
WO-2004069823-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2004-08-19 — — WO disclosed
WO-2004069823-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2004-08-19 — — WO disclosed
US-20040142953-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2004-07-22 — — US disclosed
EP-1429765-A2 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2004-06-23 — — EP disclosed
US-20040106599-A1 Inhibitors of histone deacetylase 92229129 QUEBEC INC. (CA) 2004-06-03 — — US disclosed
WO-2003024448-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2003-03-27 — — WO disclosed
WO-2003024448-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2003-03-27 — — 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-20040106599-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 RXFP1 4259/4885PRNP 2829/4885KDM4E 123/4885
US-20040142953-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 RXFP1 4259/4885PRNP 2829/4885KDM4E 123/4885

“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.

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