SCHEMBL9945327

SCHEMBL9945327

O[C@](c1ccccc1)(c1ccccn1)[C@H](c1cccnc1)n1ccnn1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 10/20 0.44
KCNH2 Q12809 6/20 0.43
CYP19A1 P11511 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.36
CFTR P13569 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
GOPC Q9HD26 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
CHRM3 P20309 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL9945357 1.00 KCNA5 (0.44) KCNA5KCNH2CYP19A1SMN1; SMN2CFTR
SCHEMBL1242788 1.00 KCNA5 (0.44) KCNA5KCNH2CYP19A1SMN1; SMN2CFTR
SCHEMBL9945340 0.88 KCNA5 (0.57) KCNA5KCNH2CYP19A1SMN1; SMN2CFTR
SCHEMBL9945339 0.88 KCNA5 (0.57) KCNA5KCNH2CYP19A1SMN1; SMN2CFTR
SCHEMBL1242950 0.88 KCNA5 (0.57) KCNA5KCNH2CYP19A1SMN1; SMN2CFTR
SCHEMBL1240484 0.84 KCNA5 (0.54) KCNA5KCNH2CYP19A1SMN1; SMN2
SCHEMBL1242139 0.83 KCNA5 (0.60) KCNA5KCNH2CYP19A1SMN1; SMN2CYP1A2
SCHEMBL1240070 0.81 KCNA5 (0.42) KCNA5KCNH2SMN1; SMN2CFTRSLC6A2
SCHEMBL1242059 0.79 KCNA5 (0.42) KCNA5KCNH2SMN1; SMN2CFTRSLC6A2
SCHEMBL1243025 0.76 KCNA5 (0.45) 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.