SCHEMBL1361513

SCHEMBL1361513

N#Cc1ccc(N2C(=O)C=CC2=O)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.50
MGLL Q99685 4/20 0.50
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
FAAH O00519 2/20 0.48
TRPV4 Q9HBA0 1/20 0.47
CYP11B2 P19099 1/20 0.46

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
SCHEMBL2345040 0.79 MAPT (0.61) MGLLALDH1A1LMNAMAPTHPGD
SCHEMBL3185016 0.79 MGLL (0.50) ARMGLLFAAH
SCHEMBL10584544 0.76 TLR9 (0.53) MGLLALDH1A1HTTNPSR1FAAH
SCHEMBL632634 0.76 AR (0.67) AR
SCHEMBL10587456 0.76 MGLL (0.57) MGLLALDH1A1LMNAMAPTHPGD
SCHEMBL1363039 0.75 AR (0.63) AR
SCHEMBL15758697 0.74 MGLL (0.59) MGLLALDH1A1LMNAMAPTHPGD
SCHEMBL8005849 0.74 PKM (0.58) MGLLALDH1A1LMNAMAPTHPGD
SCHEMBL30198527 0.74 PKM (0.58) MGLLALDH1A1LMNAMAPTHPGD
SCHEMBL15758246 0.74 MGLL (0.53) MGLLALDH1A1LMNAMAPTHPGD

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
US-8067582-B2 Fused heterocyclic compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-29 US disclosed
US-20100331324-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQIOBB COMPANY 2010-12-30 US disclosed
EP-2170899-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2010-04-07 EP disclosed
CN-101687881-A Fused heterocyclic compounds useful as modulators of nuclear hormone receptor function BRISTOL MYERS SQUIBB CO 2010-03-31 CN disclosed
WO-2009003077-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-31 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-20100331324-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION NR5A1, AR, ESRRA AR 2/4885MGLL 4262/4885ALDH1A1 967/4885

“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.