SCHEMBL4670392

SCHEMBL4670392

COc1ccc2cc(CNCc3ccccc3)ccc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.66
ALDH1A1 P00352 1/20 0.66
HTT P42858 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
MAOA P21397 1/20 0.62
MAOB P27338 1/20 0.62
RAD52 P43351 1/20 0.61
PAX8 Q06710 1/20 0.61
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
SLC2A1 P11166 1/20 0.58
TACR3 P29371 1/20 0.54
BCHE P06276 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2A6 P11509 1/20 0.53
PTGS1 P23219 1/20 0.53
AKR1C3 P42330 1/20 0.53
AKR1C2 P52895 1/20 0.53
PPARG P37231 1/20 0.53
ATM Q13315 1/20 0.52

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
SCHEMBL1279045 0.86 HTT (0.73) KDM4EALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL8880839 0.84 KDM4E (0.77) KDM4EALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL30245831 0.84 KDM4E (0.77) KDM4EALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL9416628 0.83 KDM4E (0.79) KDM4EALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL4017226 0.82 MC5R (0.65) KDM4EALDH1A1HTTSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL31120721 0.80 MC5R (0.62) KDM4EALDH1A1HTTSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL31120720 0.80 MC5R (0.62) KDM4EALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL8882896 0.79 MEN1 (0.69) KDM4EALDH1A1HTTSMN1; SMN2MAOA
SCHEMBL4673983 0.79 RAD52 (0.59) KDM4EALDH1A1SMN1; SMN2MAOARAD52
SCHEMBL1134127 0.78 CHRM2 (0.74) KDM4EALDH1A1HTTSMN1; SMN2MEN1

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 KDM4E 3881/4885ALDH1A1 658/4885HTT 313/4885

“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.