SCHEMBL4670684

SCHEMBL4670684

CCCCNCc1ccc2cc(O)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 3/20 0.50
MC5R P33032 3/20 0.50
MC3R P41968 2/20 0.50
SLC2A1 P11166 1/20 0.50
HRH4 Q9H3N8 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
MC1R Q01726 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 3/20 0.45
CYP2D6 P10635 3/20 0.45
CYP2C19 P33261 3/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
LMNA P02545 1/20 0.44
PTPN1 P18031 1/20 0.42
RAD52 P43351 1/20 0.42
PAX8 Q06710 1/20 0.42
S1PR2 O95136 1/20 0.42

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
SCHEMBL16681784 0.90 MC4R (0.47) MC4RMC5RMC3RSLC2A1HRH4
SCHEMBL11277501 0.86 SIGMAR1 (0.46) HRH3LMNAPTPN1S1PR2S1PR4
Bromide SCHEMBL11563020 0.84 SIGMAR1 (0.45) HRH3LMNAPTPN1S1PR2S1PR4
SCHEMBL11922800 0.83 MC5R (0.71) MC4RMC5RMC3RHRH4HRH3
SCHEMBL19831675 0.83 MC5R (0.42) MC4RMC5RMC3RSLC2A1MC1R
SCHEMBL3975454 0.83 HRH4 (0.63) HRH4HRH3SMN1; SMN2CYP1A2CYP2D6
SCHEMBL17285992 0.80 CYP1A2 (0.58) CYP1A2CYP2D6CYP2C19LMNA
SCHEMBL4672629 0.79 SLC2A1 (0.72) MC4RMC5RMC3RSLC2A1HRH4
SCHEMBL29306551 0.79 MC4R (0.69) MC4RMC5RMC3RSLC2A1HRH4
SCHEMBL20354411 0.78 TRPV1 (0.55) HRH4HRH3SMN1; SMN2CYP1A2CYP2D6

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 MC4R 2593/4885MC5R 1306/4885MC3R 637/4885

“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.