SCHEMBL4937376

SCHEMBL4937376

CC(C)(C)c1ccc(Cn2ccc3ccc(-c4ccc(C(F)(F)F)cc4)cc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.54
EPHX2 P34913 1/20 0.51
NR1H4 Q96RI1 1/20 0.51
KCNQ3 O43525 2/20 0.48
KCNQ2 O43526 2/20 0.48
KCNQ4 P56696 2/20 0.48
KCNQ5 Q9NR82 2/20 0.48
ICMT O60725 1/20 0.45
BRD4 O60885 3/20 0.44
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
SERPINE1 P05121 1/20 0.41
F2R P25116 1/20 0.41
ERBB2 P04626 5/20 0.41
HTR7 P34969 1/20 0.40
CHKA P35790 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
BACE1 P56817 1/20 0.39

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
SCHEMBL4942829 0.87 SERPINE1 (0.56) HTR6EPHX2NR1H4BRD4SERPINE1
SCHEMBL4941461 0.87 HTR6 (0.71) HTR6KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL4943514 0.82 F2R (0.48) HTR6EPHX2NR1H4KCNQ3KCNQ2
SCHEMBL4945321 0.82 HTR7 (0.46) HTR6ERBB2HTR7
SCHEMBL14764868 0.80 KCNQ3 (0.47) HTR6EPHX2NR1H4KCNQ3KCNQ2
SCHEMBL14773316 0.79 KCNQ3 (0.46) HTR6EPHX2NR1H4KCNQ3KCNQ2
SCHEMBL4937426 0.79 CCR9 (0.55) HTR6EPHX2NR1H4KCNQ3KCNQ2
SCHEMBL4942437 0.78 ERBB2 (0.48) HTR6EPHX2NR1H4KCNQ3KCNQ2
SCHEMBL27731261 0.78 ICMT (0.44) HTR6KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL4940424 0.77 SERPINE1 (0.59) EPHX2NR1H4KCNQ3KCNQ2KCNQ4

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 577/4885EPHX2 911/4885NR1H4 1531/4885
US-20060167059-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) SERPINE1, TFPI, F12 HTR6 566/4885EPHX2 915/4885NR1H4 1530/4885
US-20030125371-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) TFPI, SERPINE1, PLAT HTR6 291/4885EPHX2 842/4885NR1H4 1240/4885

“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.