SCHEMBL4670236

SCHEMBL4670236

COC(=O)CC(Cc1ccccc1)Oc1ccc2cc(CN(C)C(=O)c3oc4ccccc4c3C)ccc2c1Br

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.46
HCRTR1 O43613 1/20 0.42
PKM P14618 2/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NCEH1 Q6PIU2 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36

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
SCHEMBL4670237 0.84 PTPN1 (0.42) PTPN1HCRTR1PKMHTTALDH1A1
SCHEMBL4670162 0.83 PTPN1 (0.45) PTPN1HCRTR1PKMHTTALDH1A1
SCHEMBL4670883 0.81 PTPN1 (0.45) PTPN1HCRTR1HTTALDH1A1MEN1
SCHEMBL4670153 0.79 PTPN1 (0.55) PTPN1HCRTR1HTTALDH1A1LMNA
SCHEMBL4670735 0.78 PTPN1 (0.63) PTPN1NCEH1RAB9A
SCHEMBL4670647 0.77 PTPN1 (0.51) PTPN1HTTALDH1A1MEN1KMT2A
SCHEMBL4670287 0.76 LMNA (0.47) PTPN1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4670290 0.75 PTPN1 (0.53) PTPN1ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL4670774 0.75 PTPN1 (0.52) PTPN1HCRTR1MEN1KMT2ANCEH1
SCHEMBL4672841 0.75 PTPN1 (0.60) PTPN1SMN1; SMN2LMNAMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397341-B1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) WYETH CORP (US) 2008-08-06 EP disclosed
US-6589970-B2 This invention provides novel compounds, pharmaceutical compositions and methods of treating thrombotic disorders in mammals, the compounds having the formula: WYETH 2003-07-08 US disclosed
US-20030045560-A1 6-(Aryl-amido or aryl-amidomethyl)-naphthalen-2-yloxy-acidic derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) WYETH 2003-03-06 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 (1 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-20030045560-A1 6-(Aryl-amido or aryl-amidomethyl)-naphthalen-2-yloxy-acidic derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) SERPINC1, F11, SERPINE1 PTPN1 885/4885HCRTR1 775/4885PKM 2379/4885

“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.