SCHEMBL4943429

SCHEMBL4943429

COc1cccc(-c2ccc3c(ccn3Cc3ccc(C(C)(C)C)cc3)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 3/20 0.60
ERBB2 P04626 2/20 0.52
HDAC6 Q9UBN7 4/20 0.52
HDAC8 Q9BY41 3/20 0.52
HDAC3 O15379 3/20 0.52
HDAC1 Q13547 3/20 0.52
HDAC2 Q92769 3/20 0.52
HDAC10 Q969S8 2/20 0.52
ICMT O60725 2/20 0.48
CCR9 P51686 1/20 0.46
HDAC11 Q96DB2 1/20 0.45
MAOB P27338 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42

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
SCHEMBL27976621 0.89 HDAC6 (0.53) SERPINE1ERBB2HDAC6HDAC8HDAC3
SCHEMBL27976665 0.89 HDAC8 (0.55) SERPINE1ERBB2HDAC6HDAC8HDAC3
SCHEMBL4943514 0.86 F2R (0.48) SERPINE1ERBB2HDAC6HDAC8HDAC3
SCHEMBL4946152 0.86 ERBB2 (0.51) SERPINE1ERBB2HDAC6HDAC8HDAC3
SCHEMBL4022763 0.86 SERPINE1 (0.57) SERPINE1ERBB2HDAC6HDAC8HDAC3
SCHEMBL27637286 0.84 SERPINE1 (0.44) SERPINE1ERBB2ICMT
SCHEMBL4990087 0.83 HTR6 (0.53) SERPINE1ERBB2HDAC6HDAC8HDAC3
SCHEMBL4943570 0.83 HTR6 (0.53) SERPINE1ERBB2HDAC6HDAC8HDAC3
SCHEMBL4942437 0.82 ERBB2 (0.48) SERPINE1ERBB2HDAC6HDAC8HDAC3
SCHEMBL27731278 0.81 SERPINE1 (0.57) SERPINE1ERBB2ICMTCCR9MAOB

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 SERPINE1 1/4885ERBB2 729/4885HDAC6 1031/4885
US-20060167059-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) SERPINE1, TFPI, F12 SERPINE1 1/4885ERBB2 732/4885HDAC6 1046/4885
US-20030125371-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) TFPI, SERPINE1, PLAT SERPINE1 2/4885ERBB2 806/4885HDAC6 1357/4885

“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.