SCHEMBL4675400

SCHEMBL4675400

CNCc1ccc2cc(OCC#N)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.42
NOS3 P29474 4/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALDH2 P05091 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAD52 P43351 1/20 0.40
PAX8 Q06710 1/20 0.40
SLC2A1 P11166 2/20 0.38
NOS2 P35228 2/20 0.37
FFAR1 O14842 1/20 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
SCHEMBL4675398 0.81 ADH1B (0.39) KDM4EALDH1A1ALDH2GLAGAA
SCHEMBL4670306 0.79 ASIC3 (0.44) NOS1LOXL2KDM4EALDH1A1ALDH2
SCHEMBL4673983 0.79 RAD52 (0.59) NOS1KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL11026671 0.77 AGXT (0.57) KDM4EALDH1A1ALDH2GLAGAA
SCHEMBL4670151 0.75 NCEH1 (0.43) NOS1NOS3LOXL2HPGDSMN1; SMN2
SCHEMBL18105274 0.75 CYP2A6 (0.48) KDM4EALDH1A1ALDH2GLAGAA
SCHEMBL6572264 0.74 PTGS2 (0.45) KDM4EALDH1A1ALDH2GLAGAA
SCHEMBL4670561 0.74 ALDH1A1 (0.42) KDM4EALDH1A1ALDH2GLAGAA
SCHEMBL24465862 0.73 NOS1 (0.57) NOS1NOS3NOS2
SCHEMBL30054430 0.72 CYP1A2 (0.59) KDM4EALDH1A1HSD17B10FFAR1

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 NOS1 2626/4885NOS3 2966/4885LOXL2 2177/4885

“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.