SCHEMBL2820052

SCHEMBL2820052

O=C(O)c1cn(-c2ccccc2O)nn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 3/20 0.53
NOTUM Q6P988 1/20 0.48
ESRRA P11474 3/20 0.43
SPR P35270 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA4 P22748 2/20 0.42
CA9 Q16790 2/20 0.42
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
ABCB1 P08183 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
LDHA P00338 1/20 0.39
IDO1 P14902 1/20 0.38
BCHE P06276 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CA12 O43570 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HMGB1 P09429 1/20 0.37
HPGD P15428 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
SCHEMBL18128901 0.86 KCNMA1 (0.71) KCNMA1ESRRACA1CA2CA4
SCHEMBL71210 0.82 FLT3 (0.51) KCNMA1NOTUMESRRASPRCA2
SCHEMBL2220827 0.82 NOTUM (0.56) KCNMA1NOTUMESRRASPRCA2
SCHEMBL18128898 0.79 CA1 (0.60) KCNMA1ESRRACA1CA2CA4
SCHEMBL69876 0.79 ESRRA (0.62) NOTUMESRRASPRCA1CA2
SCHEMBL70146 0.78 MAPT (0.46) NOTUM
SCHEMBL15882889 0.78 CA2 (0.48) NOTUMESRRACA2CA9
SCHEMBL18128902 0.78 KCNMA1 (0.55) KCNMA1ESRRACA1CA2CA4
SCHEMBL28801446 0.77 ESRRA (0.60) NOTUMESRRASPRCA1CA2
SCHEMBL18128903 0.77 CA1 (0.60) KCNMA1ESRRACA1CA2CA4

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
WO-2010075356-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-01 WO claimed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 US claimed
WO-2010075356-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-01 WO disclosed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 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-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 KCNMA1 4431/4885NOTUM 99/4885ESRRA 2415/4885

“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.