SCHEMBL9945339

SCHEMBL9945339

O[C@](c1ccccc1)(c1cccnc1)C(c1cccnc1)n1ccnn1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 12/20 0.57
KCNH2 Q12809 7/20 0.54
CYP19A1 P11511 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.41
CFTR P13569 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
GOPC Q9HD26 1/20 0.40

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
SCHEMBL9945340 1.00 KCNA5 (0.57) KCNA5KCNH2CYP19A1SMN1; SMN2CFTR
SCHEMBL1242950 1.00 KCNA5 (0.57) KCNA5KCNH2CYP19A1SMN1; SMN2CFTR
SCHEMBL1240484 0.96 KCNA5 (0.54) KCNA5KCNH2CYP19A1SMN1; SMN2
SCHEMBL1242139 0.95 KCNA5 (0.60) KCNA5KCNH2CYP19A1SMN1; SMN2
SCHEMBL1242788 0.88 KCNA5 (0.44) KCNA5KCNH2CYP19A1SMN1; SMN2CFTR
SCHEMBL9945327 0.88 KCNA5 (0.44) KCNA5KCNH2CYP19A1SMN1; SMN2CFTR
SCHEMBL9945357 0.88 KCNA5 (0.44) KCNA5KCNH2CYP19A1SMN1; SMN2CFTR
SCHEMBL1243025 0.84 KCNA5 (0.45) KCNA5KCNH2CYP19A1
SCHEMBL12890149 0.83 KCNA5 (0.42) KCNA5KCNH2CYP19A1
SCHEMBL1242920 0.83 KCNA5 (0.43) KCNA5KCNH2CYP19A1

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-8669274-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2014-03-11 US disclosed
US-8669274-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2014-03-11 US disclosed
US-20120149729-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120149729-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-06-14 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-20120149729-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO KCNA5 2402/4885KCNH2 2250/4885CYP19A1 898/4885

“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.