SCHEMBL4939152

SCHEMBL4939152

CCCCn1ccc2cc(Br)ccc21

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
HTR7 P34969 5/20 0.55
PLG P00747 1/20 0.45
PLAU P00749 1/20 0.45
CDK4 P11802 4/20 0.44
CCND1 P24385 4/20 0.44
SLC6A2 P23975 2/20 0.44
NTSR1 P30989 1/20 0.43
EGFR P00533 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL18856950 0.95 HTR2A (0.55) HTR2AHTR2CHTR7PLGPLAU
SCHEMBL28550149 0.94 HTR2A (0.54) HTR2AHTR2CHTR7PLGPLAU
SCHEMBL22930065 0.94 HTR2A (0.54) HTR2AHTR2CHTR7PLGPLAU
SCHEMBL15550237 0.94 HTR2A (0.54) HTR2AHTR2CHTR7PLGPLAU
SCHEMBL14061899 0.90 HTR2A (0.59) HTR2AHTR2CHTR7PLGPLAU
Dimethylamine SCHEMBL18941222 0.85 HTR2A (0.55) HTR2AHTR2CHTR7SLC6A2NTSR1
SCHEMBL30729445 0.83 HTR2A (0.56) HTR2AHTR2CHTR7PLGPLAU
SCHEMBL18941301 0.83 HTR2A (0.53) HTR2AHTR2CHTR7PLGPLAU
SCHEMBL22930053 0.83 HTR2A (0.60) HTR2AHTR2CHTR7PLGPLAU
SCHEMBL16741930 0.83 EGFR (0.53) HTR2AHTR2CHTR7SLC6A2EGFR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017082924-A1 PEPTIDE AND PEPTIDE MIMETIC BINDING ANTAGONISTS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2017-05-18 WO 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
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 HTR2A 822/4885HTR2C 1298/4885HTR7 673/4885
US-20060167059-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) SERPINE1, TFPI, F12 HTR2A 815/4885HTR2C 1292/4885HTR7 666/4885
US-20030125371-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) TFPI, SERPINE1, PLAT HTR2A 325/4885HTR2C 564/4885HTR7 414/4885

“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.