SCHEMBL9945356

SCHEMBL9945356

N#Cc1cccc([C@](O)(c2cccnc2)[C@@H](c2ccc(Br)nc2)n2ccnn2)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 11/20 0.38
KCNH2 Q12809 7/20 0.38
CYP19A1 P11511 2/20 0.37
CYP3A4 P08684 2/20 0.34
CYP3A5 P20815 2/20 0.34
VNN1 O95497 1/20 0.33
NEK1 Q96PY6 1/20 0.32
MGLL Q99685 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA5 P30532 1/20 0.32
CHRNA4 P43681 1/20 0.32
ATR Q13535 1/20 0.31

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
SCHEMBL1240607 1.00 KCNA5 (0.38) KCNA5KCNH2CYP19A1CYP3A4CYP3A5
SCHEMBL9945326 1.00 KCNA5 (0.38) KCNA5KCNH2CYP19A1CYP3A4CYP3A5
SCHEMBL1242920 0.91 KCNA5 (0.43) KCNA5KCNH2CYP19A1CYP3A4CYP3A5
SCHEMBL1243025 0.89 KCNA5 (0.45) KCNA5KCNH2CYP19A1
SCHEMBL1242786 0.87 KCNA5 (0.45) KCNA5KCNH2CYP19A1CYP3A4CYP3A5
SCHEMBL12890148 0.84 KCNA5 (0.36) KCNA5KCNH2
SCHEMBL9945335 0.83 KCNA5 (0.40) KCNA5KCNH2CYP19A1CYP3A4CYP3A5
SCHEMBL1242032 0.83 KCNA5 (0.40) KCNA5KCNH2CYP19A1CYP3A4CYP3A5
SCHEMBL9945325 0.83 KCNA5 (0.40) KCNA5KCNH2CYP19A1CYP3A4CYP3A5
SCHEMBL1243448 0.83 CYP19A1 (0.52) KCNA5KCNH2CYP19A1CYP3A4CYP3A5

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-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
WO-2012082746-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-06-21 WO 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.