SCHEMBL6579423

SCHEMBL6579423

CC(C)CC(=O)c1c(-c2ccc3c(Br)c(OCC#N)ccc3c2)oc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.40
ANO1 Q5XXA6 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TNKS O95271 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
ATM Q13315 1/20 0.34
HPGD P15428 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
GRM2 Q14416 1/20 0.33

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
SCHEMBL6581594 0.87 PTPN1 (0.47) PTPN1ANO1SMN1; SMN2NPC1RAB9A
SCHEMBL6579770 0.86 L3MBTL1 (0.43) PTPN1ANO1SMN1; SMN2MAPTTNKS
SCHEMBL6582393 0.84 TP53 (0.41) PTPN1ANO1SMN1; SMN2RAB9ATP53
SCHEMBL6583738 0.83 PTPN1 (0.39) PTPN1ANO1SMN1; SMN2NPC1CYP1A2
SCHEMBL5340436 0.81 CNR1 (0.36) PTPN1SMN1; SMN2NPC1TP53MAPT
SCHEMBL6579600 0.78 LMNA (0.42) PTPN1ANO1SMN1; SMN2NPC1RAB9A
SCHEMBL6579841 0.77 LMNA (0.40) PTPN1ANO1SMN1; SMN2NPC1RAB9A
SCHEMBL6585552 0.77 SLC2A1 (0.42) PTPN1ANO1TP53MAPTRXFP1
SCHEMBL6579760 0.76 LMNA (0.39) PTPN1ANO1SMN1; SMN2NPC1RAB9A
SCHEMBL6581762 0.76 PTPN1 (0.51) PTPN1ANO1SMN1; SMN2TP53RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401822-A1 NAPHTHYL BENZOFURAN DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) Wyeth (US) 2004-03-31 EP disclosed
US-6599925-B2 Cardiovascular disorders; anticancer agents WYETH 2003-07-29 US disclosed
US-20030018067-A1 Substituted naphthyl benzofuran derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH 2003-01-23 US disclosed
WO-2003000671-A1 NAPHTHYL BENZOFURAN DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-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-20030018067-A1 Substituted naphthyl benzofuran derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) F2R, SERPINE1, SERPINC1 PTPN1 1287/4885ANO1 3199/4885SMN1; SMN2 4130/4885

“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.