SCHEMBL3587153

SCHEMBL3587153

CCc1cnc(NC)c(C(=O)N(CCc2ccc(Cl)c(Cl)c2)Cc2ccc(C(C)(C)C)cc2)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 2/20 0.36
NR1H4 Q96RI1 1/20 0.36
HSP90AA1 P07900 2/20 0.35
ESRRB O95718 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
NR1I3 Q14994 1/20 0.35
GRM5 P41594 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
C5AR1 P21730 1/20 0.33
CETP P11597 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
VNN1 O95497 1/20 0.32

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
SCHEMBL3576692 0.91 ESRRG (0.37) ESRRGNR1H4HSP90AA1ESRRBOPRM1
SCHEMBL3580374 0.90 ESRRG (0.36) ESRRGNR1H4HSP90AA1ESRRBOPRM1
SCHEMBL3584126 0.89 ESRRG (0.36) ESRRGNR1H4HSP90AA1ESRRBOPRM1
SCHEMBL3574285 0.89 ESRRG (0.36) ESRRGNR1H4HSP90AA1ESRRBOPRM1
SCHEMBL3580346 0.88 ESRRG (0.35) ESRRGNR1H4HSP90AA1ESRRBOPRM1
SCHEMBL3586398 0.87 PTGES (0.39) ESRRGNR1H4OPRM1OPRD1NR1I3
SCHEMBL3580658 0.85 RAF1 (0.39) ESRRGNR1H4HSP90AA1ESRRBOPRM1
SCHEMBL3585932 0.84 CCR9 (0.36) ESRRGNR1H4HSP90AA1ESRRBOPRM1
SCHEMBL3576645 0.83 HSP90AA1 (0.37) ESRRGNR1H4HSP90AA1ESRRBOPRM1
SCHEMBL3583608 0.82 ESRRG (0.35) ESRRGNR1H4HSP90AA1ESRRBOPRM1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
EP-1984340-A1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-10-29 EP disclosed
US-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. 2007-09-20 US disclosed
WO-2007090752-A1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 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-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds AADAT, AAAS, AADAC ESRRG 4686/4885NR1H4 2668/4885HSP90AA1 2086/4885

“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.