SCHEMBL4484108

SCHEMBL4484108

COC(=O)Cn1ccc2cc(-c3ccc(Cl)cc3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.52
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
NTSR1 P30989 3/20 0.49
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
MAPT P10636 1/20 0.43
KRAS P01116 2/20 0.42
HDAC11 Q96DB2 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
NPY5R Q15761 1/20 0.39
GLO1 Q04760 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
SCHEMBL9200019 0.79 MTNR1A (0.60) ATMKDM4EALDH1A1HDAC8HDAC6
SCHEMBL19674140 0.79 ATM (0.57) ATMKDM4EALDH1A1NTSR1HDAC8
SCHEMBL5449877 0.79 ATM (0.57) ATMKDM4EALDH1A1NTSR1HDAC8
SCHEMBL27616328 0.79 NTSR1 (0.41) NTSR1HDAC8HDAC6HDAC3HDAC1
SCHEMBL5637363 0.78 ATM (0.56) ATMKDM4EALDH1A1NTSR1HDAC8
SCHEMBL21810428 0.78 NTSR1 (0.57) ATMNTSR1HDAC8HDAC6HDAC3
SCHEMBL14876504 0.78 NTSR1 (0.57) ATMKDM4EALDH1A1NTSR1HDAC8
SCHEMBL6029964 0.77 ATM (0.58) ATMKDM4EALDH1A1NTSR1HDAC8
SCHEMBL14594510 0.77 ATM (0.55) ATMKDM4EALDH1A1HDAC8HDAC6
SCHEMBL4820329 0.76 NTSR1 (0.47) NTSR1HDAC6

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-7566791-B2 Substituted 3-carbonyl-1h-indol-1yl acetic acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2009-07-28 US disclosed
US-20060178412-A1 Substituted 3-carbonyl-1h-indol-1-yl acetic acid derivatives as ibhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2006-08-10 US disclosed
US-7078429-B2 Substituted 3-carbonyl-1H-indol-1-yl acetic acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2006-07-18 US disclosed
EP-1569900-B1 SUBSTITUTED 3-CARBONYL-1-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH CORP (US) 2006-06-28 EP disclosed
EP-1569900-A2 SUBSTITUTED 3-CARBONYL-1-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) Wyeth (US) 2005-09-07 EP disclosed
US-20040122070-A1 Substituted 3-carbonyl-1H-indol-1-yl acetic acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH 2004-06-24 US disclosed
WO-2004052855-A2 SUBSTITUTED 3-CARBONYL-1H-INDOL-1-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH (US) 2004-06-24 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 (2 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-20040122070-A1 Substituted 3-carbonyl-1H-indol-1-yl acetic acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) SERPINE1, PLAT, SERPINC1 ATM 2448/4885KDM4E 3306/4885ALDH1A1 63/4885
US-20060178412-A1 Substituted 3-carbonyl-1h-indol-1-yl acetic acid derivatives as ibhibitors of plasminogen activator inhibitor-1 (PAI-1) SERPINE1, PLAT, TFPI ATM 1881/4885KDM4E 3283/4885ALDH1A1 42/4885

“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.