SCHEMBL2002809

SCHEMBL2002809

COc1ccc(Cl)cc1-c1ccc(C(C)N)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
AGPAT2 O15120 2/20 0.41
ERN1 O75460 1/20 0.40
CTSA P10619 3/20 0.40
PDE2A O00408 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PTGS1 P23219 3/20 0.39
PTGS2 P35354 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
RECQL P46063 1/20 0.38
BDKRB1 P46663 1/20 0.38
SLC9A1 P19634 1/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
PTGES2 Q9H7Z7 1/20 0.37

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
SCHEMBL2008592 0.86 LRRK2 (0.43) ERN1CTSAPDE2APTGS1PTGS2
SCHEMBL2006306 0.79 ADRB2 (0.52) AGPAT2ERN1CTSAKDM4EALDH1A1
SCHEMBL5236993 0.79 ADRB2 (0.52) AGPAT2ERN1CTSAKDM4EALDH1A1
SCHEMBL2011386 0.78 LMNA (0.44) LMNATP53HTTERN1CTSA
SCHEMBL16046022 0.77 LMNA (0.64) LMNATP53HTTPDE2AALDH1A1
SCHEMBL8284264 0.77 LMNA (0.64) LMNATP53HTTPDE2AALDH1A1
SCHEMBL13778123 0.77 LMNA (0.64) LMNATP53HTTPDE2AALDH1A1
Hydrochloric Acid SCHEMBL20791400 0.76 LMNA (0.62) LMNATP53HTTPDE2AALDH1A1
Hydrochloric Acid SCHEMBL31561539 0.76 LMNA (0.62) LMNATP53HTTPDE2AALDH1A1
Hydrochloric Acid SCHEMBL4933547 0.76 LMNA (0.62) LMNATP53HTTPDE2AALDH1A1

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
US-7960365-B2 Compounds with medicinal effects due to interaction with the glucocorticoid receptor N.V. ORGANON (NL) 2011-06-14 US disclosed
EP-1965785-A1 COMPOUNDS WITH MEDICINAL EFFECTS DUE TO INTERACTION WITH THE GLUCOCORTICOID RECEPTOR N.V. Organon (NL) 2008-09-10 EP disclosed
WO-2007071638-A1 COMPOUNDS WITH MEDICINAL EFFECTS DUE TO INTERACTION WITH THE GLUCOCORTICOID RECEPTOR N.V. ORGANON (NL) 2007-06-28 WO disclosed
US-20070149577-A1 Compounds with medicinal effects due to interaction with the glucocorticoid receptor N.V. ORGANON (NL) 2007-06-28 US 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-20070149577-A1 Compounds with medicinal effects due to interaction with the glucocorticoid receptor NR3C1, NR3C2, MC2R LMNA 3879/4885TP53 4723/4885HTT 802/4885

“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.