SCHEMBL4943532

SCHEMBL4943532

Fc1ccc(Cn2ccc3cc(-c4ccccc4)ccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.52
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
SERPINE1 P05121 1/20 0.50
SCN9A Q15858 1/20 0.47
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
NR3C1 P04150 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
EPHX2 P34913 1/20 0.46
PTGDR2 Q9Y5Y4 2/20 0.46
SLC2A1 P11166 1/20 0.45
APP P05067 1/20 0.45
NPC1 O15118 1/20 0.45
HSP90AA1 P07900 1/20 0.45
MAOB P27338 1/20 0.45

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
SCHEMBL5795018 0.90 HTR6 (0.62) HTR6HDAC3HDAC1HDAC2HDAC8
SCHEMBL4942869 0.90 HTR6 (0.62) HTR6HDAC3HDAC1HDAC2HDAC8
SCHEMBL3867537 0.86 HTR6 (0.52) HTR6HDAC3HDAC1HDAC2HDAC8
SCHEMBL27976943 0.86 HTR6 (0.52) HTR6HDAC3HDAC1HDAC2HDAC8
SCHEMBL27977005 0.85 SCN9A (0.56) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL27976688 0.83 HDAC8 (0.56) HTR6HDAC3HDAC1HDAC2HDAC8
SCHEMBL9584191 0.83 APP (0.53) HTR6HDAC3HDAC1HDAC2HDAC8
SCHEMBL4939166 0.82 SCN9A (0.50) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL23902735 0.81 HTR6 (0.63) HTR6HDAC3HDAC1HDAC2HDAC8
SCHEMBL30364639 0.81 HTR6 (0.63) HTR6HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214647-A1 SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH (US) 2008-09-04 US disclosed
US-7368471-B2 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2008-05-06 US disclosed
EP-1844771-A2 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) Wyeth (US) 2007-10-17 EP disclosed
EP-1397130-B1 SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH CORP (US) 2007-07-25 EP disclosed
US-20060167059-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2006-07-27 US disclosed
US-7074817-B2 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2006-07-11 US disclosed
US-20030125371-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH 2003-07-03 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-20080214647-A1 SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) SERPINE1, TFPI, F12 HTR6 577/4885HDAC3 471/4885HDAC1 691/4885
US-20060167059-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) SERPINE1, TFPI, F12 HTR6 566/4885HDAC3 488/4885HDAC1 718/4885
US-20030125371-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) TFPI, SERPINE1, PLAT HTR6 291/4885HDAC3 532/4885HDAC1 1083/4885

“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.