SCHEMBL4942907

SCHEMBL4942907

Clc1cccc(-c2ccc3ccn(Cc4ccccc4)c3c2)c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.67
BRD4 O60885 3/20 0.56
PGR P06401 3/20 0.52
APP P05067 3/20 0.48
SNCA P37840 3/20 0.48
ALDH1A1 P00352 2/20 0.46
CXCR2 P25025 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
BACE1 P56817 1/20 0.44
HTR1D P28221 1/20 0.43
KMO O15229 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HPGD P15428 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
SCHEMBL4943923 0.90 HTR6 (0.81) HTR6BRD4APPSNCABACE1
SCHEMBL5792694 0.90 HTR6 (0.81) HTR6BRD4APPSNCABACE1
SCHEMBL28101302 0.85 HTR6 (0.60) HTR6BRD4APPSNCABACE1
SCHEMBL5795212 0.81 HTR6 (0.72) HTR6BRD4APPSNCABACE1
SCHEMBL5795211 0.81 HTR6 (0.72) HTR6BRD4APPSNCABACE1
SCHEMBL6085311 0.79 HTR6 (0.59) HTR6ALDH1A1KDM4E
SCHEMBL30218818 0.79 HTR6 (0.59) HTR6ALDH1A1KDM4E
SCHEMBL4941461 0.78 HTR6 (0.71) HTR6BRD4APPSNCACXCR2
SCHEMBL4942869 0.77 HTR6 (0.62) HTR6BRD4APPSNCA
SCHEMBL5795018 0.77 HTR6 (0.62) HTR6BRD4APPSNCA

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 9 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
EP-1397130-A1 SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) Wyeth (US) 2004-03-17 EP disclosed
US-20030125371-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH 2003-07-03 US disclosed
WO-2003000253-A1 SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH (US) 2003-01-03 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 (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 577/4885BRD4 251/4885PGR 469/4885
US-20060167059-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) SERPINE1, TFPI, F12 HTR6 566/4885BRD4 260/4885PGR 475/4885
US-20030125371-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) TFPI, SERPINE1, PLAT HTR6 291/4885BRD4 522/4885PGR 808/4885

“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.