SCHEMBL4024181

SCHEMBL4024181

CC(C)(C)c1ccc(Cn2ccc3cc(Br)ccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 1/20 0.52
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
F2R P25116 1/20 0.47
EPHX2 P34913 2/20 0.46
KCNQ3 O43525 2/20 0.46
KCNQ2 O43526 2/20 0.46
KCNQ4 P56696 2/20 0.46
KCNQ5 Q9NR82 2/20 0.46
NR1H4 Q96RI1 1/20 0.46
PLG P00747 1/20 0.45
PLAU P00749 1/20 0.45
HDAC6 Q9UBN7 8/20 0.44
HDAC8 Q9BY41 7/20 0.44
HDAC3 O15379 6/20 0.44
HDAC1 Q13547 6/20 0.44
HDAC2 Q92769 6/20 0.44
HDAC11 Q96DB2 1/20 0.43
HTR7 P34969 1/20 0.43
HDAC10 Q969S8 3/20 0.43

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
SCHEMBL28813607 0.89 ERBB2 (0.48) CCR9HTR2AHTR2CF2REPHX2
SCHEMBL4937426 0.89 CCR9 (0.55) CCR9F2REPHX2KCNQ3KCNQ2
SCHEMBL27976945 0.86 HTR2A (0.55) HTR2AHTR2CPLGPLAUHDAC6
SCHEMBL16948399 0.86 KCNQ3 (0.55) HTR2AHTR2CKCNQ3KCNQ2KCNQ4
SCHEMBL4943514 0.84 F2R (0.48) F2REPHX2KCNQ3KCNQ2KCNQ4
SCHEMBL3861303 0.84 HDAC6 (0.56) HTR2AHTR2CPLGPLAUHDAC6
SCHEMBL3193581 0.83 HTR6 (0.54) CCR9F2REPHX2KCNQ3KCNQ2
SCHEMBL31312552 0.83 HTR6 (0.54) CCR9F2REPHX2KCNQ3KCNQ2
SCHEMBL6086626 0.82 HDAC8 (0.55) HTR2AHTR2CPLGPLAUHDAC6
SCHEMBL28813433 0.81 HDAC6 (0.63) HTR2AHTR2CPLGPLAUHDAC6

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569902-B1 SUBSTITUTED INDOLE OXO-ACETYL AMINO ACETIC ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH CORP (US) 2009-05-06 EP disclosed
US-7459478-B2 Substituted dihydropyrano indole-3,4-dione derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2008-12-02 US disclosed
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
US-20070203220-A1 Inhibitors Of PAI-1 For Treatment Of Muscular Conditions WYETH (US) 2007-08-30 US 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-7160918-B2 Substituted indole oxo-acetyl amino acetic acid derivatives as inhibitors of plasminogen activator inhibitor (PAI-1) ELOKDAH HASSAN MAHMOUD 2007-01-09 US disclosed
US-20060270728-A1 Substituted dihydropyrano indole-3,4-dione derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2006-11-30 US disclosed
US-7101903-B2 Substituted dihydropyrano indole-3,4-dione derivatives as inhibitiors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2006-09-05 US disclosed
US-20060122254-A1 Substituted indole oxo-acetyl amino acetic acid derivatives as inhibitors of plasminogen activator inhibitor (PAI-1) WYETH (US) 2006-06-08 US disclosed
US-7056943-B2 Substituted indole oxo-acetyl amino acetic acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2006-06-06 US disclosed
CN-1726191-A Substituted indole oxo-acetyl amino acetic acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH CORP (US) 2006-01-25 CN disclosed
EP-1569902-A1 SUBSTITUTED INDOLE OXO-ACETYL AMINO ACETIC ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) Wyeth (US) 2005-09-07 EP disclosed
EP-1569639-A2 SUBSTITUTED DIHYDROPYRANO INDOLE-3,4-DIONE DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) Wyeth (US) 2005-09-07 EP disclosed
US-20050113436-A1 9-(4-Methylbenzyl)-6-[4-(trifluoromethoxy)phenyl]-1,9-dihydropyrano[3,4-b]indole-3,4-dione; treating fibrinolytic disorders, vein thrombosis and coronary heart disease, and pulmonary fibrosis WYETH (US) 2005-05-26 US disclosed
WO-2004052856-A1 SUBSTITUTED INDOLE OXO-ACETYL AMINO ACETIC ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH (US) 2004-06-24 WO disclosed
WO-2004052893-A2 SUBSTITUTED DIHYDROPYRANO INDOLE-3,4-DIONE DERIVATIVES AND 3-OXOACETIC ACID SUBSTITUTED 2-HYDROXYMETHYLINDOLE DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH (US) 2004-06-24 WO disclosed
US-20040116504-A1 Substituted indole oxo-acetyl amino acetic acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH 2004-06-17 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 (6 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-20070203220-A1 Inhibitors Of PAI-1 For Treatment Of Muscular Conditions SERPINE1, SERPINB1, SERPINC1 CCR9 3352/4885HTR2A 4146/4885HTR2C 4758/4885
US-20050113436-A1 9-(4-Methylbenzyl)-6-[4-(trifluoromethoxy)phenyl]-1,9-dihydropyrano[3,4-b]indole-3,4-dione; treating fibrinolytic disorders, vein thrombosis and coronary heart disease, and pulmonary fibrosis FGB, SERPINE1, MMP1 CCR9 694/4885HTR2A 1018/4885HTR2C 964/4885
US-20060270728-A1 Substituted dihydropyrano indole-3,4-dione derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) SERPINE1, TFPI, F2 CCR9 1859/4885HTR2A 1623/4885HTR2C 1675/4885
US-20080214647-A1 SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) SERPINE1, TFPI, F12 CCR9 645/4885HTR2A 822/4885HTR2C 1298/4885
US-20060122254-A1 Substituted indole oxo-acetyl amino acetic acid derivatives as inhibitors of plasminogen activator inhibitor (PAI-1) SERPINE1, F2RL1, F2R CCR9 322/4885HTR2A 238/4885HTR2C 344/4885
US-20030125371-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) TFPI, SERPINE1, PLAT CCR9 629/4885HTR2A 325/4885HTR2C 564/4885

“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.