SCHEMBL4670478

SCHEMBL4670478

COC(=O)COc1ccc2cc(CN)ccc2c1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
RXFP1 Q9HBX9 5/20 0.43
KMT2A Q03164 2/20 0.43
PRNP P04156 5/20 0.43
LMNA P02545 2/20 0.43
PTPN1 P18031 1/20 0.43
ALDH1A1 P00352 2/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 2/20 0.41
MAPK1 P28482 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 2/20 0.40
TP53 P04637 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL4670480 0.81 SMN1; SMN2 (0.51) NCEH1SMN1; SMN2HPGDRXFP1KMT2A
SCHEMBL4670138 0.80 SMN1; SMN2 (0.46) NCEH1SMN1; SMN2HPGDRXFP1KMT2A
SCHEMBL4670271 0.80 CYP19A1 (0.48) NCEH1SMN1; SMN2RXFP1KMT2ALMNA
SCHEMBL4670749 0.77 PPARG (0.48) SMN1; SMN2KMT2ALMNAALDH1A1MAPT
SCHEMBL4670134 0.75 RXFP1 (0.42) NCEH1SMN1; SMN2HPGDRXFP1KMT2A
SCHEMBL4674130 0.75 ROCK1 (0.41) NCEH1RXFP1KMT2APTPN1
SCHEMBL2856058 0.75 ALDH1A1 (0.48) SMN1; SMN2HPGDKMT2ALMNAALDH1A1
SCHEMBL3973606 0.74 ALDH1A1 (0.50) SMN1; SMN2HPGDKMT2ALMNAPTPN1
SCHEMBL4672318 0.73 PTPN1 (0.51) NCEH1PTPN1
Acetic Acid SCHEMBL2853897 0.72 ALDH1A1 (0.45) SMN1; SMN2HPGDKMT2ALMNAALDH1A1

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 5 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
EP-1397341-A1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) Wyeth (US) 2004-03-17 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
WO-2003000649-A1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-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 (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 NCEH1 86/4885SMN1; SMN2 2465/4885HPGD 2361/4885

“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.