SCHEMBL4674130

SCHEMBL4674130

N#CCOc1ccc2cc(CN)ccc2c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.41
NCEH1 Q6PIU2 4/20 0.39
CYP19A1 P11511 3/20 0.38
STS P08842 1/20 0.38
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ASIC3 Q9UHC3 1/20 0.34
CSNK2A1 P68400 3/20 0.33
PTPN1 P18031 2/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32

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
SCHEMBL4670678 0.84 NCEH1 (0.38) NCEH1CYP19A1STSKMT2ARXFP1
SCHEMBL5352174 0.84 RXFP1 (0.47) NCEH1CYP19A1STSKMT2ARXFP1
SCHEMBL4670151 0.83 NCEH1 (0.43) NCEH1CYP19A1STSKMT2ARXFP1
SCHEMBL4670147 0.83 NCEH1 (0.43) NCEH1CYP19A1STSKMT2ARXFP1
SCHEMBL6579023 0.81 NCEH1 (0.38) NCEH1CYP19A1STSKMT2ARXFP1
SCHEMBL4672459 0.79 ROCK1 (0.47) ROCK1NCEH1KMT2A
SCHEMBL4670146 0.79 NCEH1 (0.40) NCEH1CYP19A1STSKMT2ARXFP1
SCHEMBL4672524 0.79 NCEH1 (0.45) NCEH1CYP19A1STSKMT2ARXFP1
SCHEMBL4670271 0.79 CYP19A1 (0.48) ROCK1NCEH1CYP19A1KMT2ARXFP1
SCHEMBL4670664 0.79 ASIC3 (0.40) ROCK1ASIC3CSNK2A1LOXL2

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 ROCK1 1602/4885NCEH1 86/4885CYP19A1 1013/4885

“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.