SCHEMBL4098202

SCHEMBL4098202

Cc1nc(-c2nnc(N3CCC(Oc4ccncc4[N+](=O)[O-])CC3)s2)no1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCD O00767 6/20 0.45
HRH3 Q9Y5N1 6/20 0.36
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
GLS O94925 1/20 0.32
P2RX3 P56373 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
SCHEMBL13870685 0.87 SCD (0.49) SCDHRH3
SCHEMBL4086869 0.85 SCD (0.48) SCDHRH3
SCHEMBL4087551 0.85 SCD (0.48) SCDHRH3
SCHEMBL13870683 0.78 SCD (0.56) SCDHRH3
SCHEMBL4093029 0.77 SCD (0.54) SCDHRH3
SCHEMBL4087853 0.77 SCD (0.44) SCDGLS
SCHEMBL13870682 0.76 SCD (0.50) SCDHRH3GLS
SCHEMBL13870690 0.76 SCD (0.54) SCDHRH3
SCHEMBL13870689 0.75 SCD (0.53) SCDHRH3
SCHEMBL14870430 0.75 SCD (0.55) SCDHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099200-A1 Azacyclohexane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase MERCK FROSST CANADA LTD. (CA) 2009-04-16 US disclosed
EP-1902051-A1 AZACYCLOHEXANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2008-03-26 EP disclosed
WO-2006130986-A1 AZACYCLOHEXANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2006-12-14 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-20090099200-A1 Azacyclohexane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase SCD, SCD5, SREBF1 SCD 1/4885HRH3 4619/4885TP53 4839/4885

“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.