SCHEMBL14405697

SCHEMBL14405697

N#Cc1ccc(OCc2ccc(Br)nc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.56
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
CYP3A4 P08684 1/20 0.48
RAB9A P51151 1/20 0.48
CYP19A1 P11511 4/20 0.46
HRH3 Q9Y5N1 1/20 0.45
MAOA P21397 4/20 0.44
SMPD1 P17405 1/20 0.44
ALKBH1 Q13686 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41

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
SCHEMBL29741480 0.80 MAOB (0.81) MAOBCYP4F2CYP4A11CYP3A4RAB9A
SCHEMBL18664184 0.80 MAOB (0.81) MAOBCYP4F2CYP4A11CYP3A4RAB9A
SCHEMBL11244637 0.80 MAOB (0.54) MAOBRAB9AMAOA
SCHEMBL19962768 0.80 MAOB (0.68) MAOBCYP4F2CYP4A11RAB9AHRH3
SCHEMBL15038105 0.80 MAOB (0.68) MAOBCYP4F2CYP4A11RAB9AHRH3
SCHEMBL12854780 0.80 APP (0.52) MAOBRAB9AMAOA
SCHEMBL15584627 0.78 CYP19A1 (0.56) MAOBRAB9ACYP19A1CYP11B1CYP11B2
SCHEMBL10925694 0.76 MAOB (0.68) MAOBCYP4F2CYP4A11CYP3A4RAB9A
SCHEMBL16841039 0.75 MAOB (0.72) MAOBCYP4F2CYP4A11CYP3A4RAB9A
SCHEMBL23541337 0.75 MAOB (0.71) MAOBCYP4F2CYP4A11CYP3A4RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556143-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-01-31 US disclosed
US-9221791-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2015-12-29 US disclosed
US-20150099750-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-04-09 US disclosed
US-8901121-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-20140350003-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2014-11-27 US disclosed
US-8809378-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2014-08-19 US disclosed
US-20130005719-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2013-01-03 US disclosed
US-20130005729-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2013-01-03 US disclosed
WO-2012177603-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-12-27 WO disclosed
WO-2012177608-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-12-27 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 (4 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-20130005729-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO MAOB 246/4885CYP4F2 261/4885CYP4A11 966/4885
US-20150099750-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO MAOB 246/4885CYP4F2 261/4885CYP4A11 966/4885
US-20140350003-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO MAOB 246/4885CYP4F2 261/4885CYP4A11 966/4885
US-20130005719-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO MAOB 246/4885CYP4F2 261/4885CYP4A11 966/4885

“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.