SCHEMBL4670458

SCHEMBL4670458

CCCCNCc1ccc2c(Br)c(O)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.49
CYP1A2 P05177 3/20 0.46
CYP2D6 P10635 3/20 0.46
CYP2C19 P33261 3/20 0.46
LMNA P02545 1/20 0.44
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
SLC2A1 P11166 1/20 0.41
MC4R P32245 1/20 0.40
MC5R P33032 1/20 0.40
MC3R P41968 1/20 0.40
NCEH1 Q6PIU2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
S1PR2 O95136 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
LPAR2 Q9HBW0 1/20 0.40
HDAC3 O15379 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
SCHEMBL4670212 0.80 ESR1 (0.49) PTPN1CYP1A2LMNAESR1ESR2
SCHEMBL20354411 0.78 TRPV1 (0.55) CYP1A2CYP2D6CYP2C19HRH4HRH3
SCHEMBL4670453 0.77 TRPV1 (0.53) PTPN1CYP1A2CYP2D6CYP2C19NCEH1
SCHEMBL4672526 0.77 NCEH1 (0.42) PTPN1CYP1A2CYP2D6CYP2C19LMNA
SCHEMBL4670684 0.77 MC4R (0.50) PTPN1CYP1A2CYP2D6CYP2C19LMNA
SCHEMBL4670207 0.76 ESR1 (0.45) PTPN1ESR1ESR2NCEH1HSD17B1
SCHEMBL27628642 0.74 BACE1 (0.50) CYP1A2CYP2D6CYP2C19LMNAESR1
SCHEMBL11922800 0.73 MC5R (0.71) CYP1A2CYP2D6CYP2C19HRH4HRH3
SCHEMBL10025755 0.72 TRPV1 (0.60) CYP1A2CYP2D6CYP2C19LMNAHRH4
SCHEMBL906529 0.71 KDM4E (0.60) CYP1A2CYP2D6CYP2C19

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 PTPN1 885/4885CYP1A2 766/4885CYP2D6 841/4885

“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.