SCHEMBL2723719

SCHEMBL2723719

CC(C)C(O)(c1ccncn1)c1ccc2cc(OC(F)(F)F)ccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.50
SCN9A Q15858 4/20 0.37
PDE10A Q9Y233 3/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
CYP17A1 P05093 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
GMNN O75496 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.35
NFKB1 P19838 1/20 0.35
SLC6A2 P23975 1/20 0.35

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
SCHEMBL2723597 0.89 CYP3A4 (0.50) CYP3A4SCN9ACYP17A1CYP2C9MAPK1
SCHEMBL15294420 0.82 CYP3A4 (0.50) CYP3A4CYP1A2
SCHEMBL2723699 0.80 CYP3A4 (0.48) CYP3A4NPC1RAB9AHPGDS
SCHEMBL6116398 0.79 CYP17A1 (0.40) CYP3A4SCN9APDE10AMAOAMAOB
SCHEMBL2724779 0.75 CYP3A4 (0.42) CYP3A4SCN9ACYP17A1CYP2C9
SCHEMBL2723714 0.72 CYP3A4 (0.40) CYP3A4
SCHEMBL15297242 0.71 CYP17A1 (0.48) CYP3A4SCN9ACYP17A1CYP2C9SCN10A
SCHEMBL5020170 0.68 CYP17A1 (0.52) CYP3A4SCN9ACYP17A1CYP2C9SCN10A
SCHEMBL9071312 0.68 NPC1 (0.43) CYP3A4SCN9APDE10AMAOAMAOB
SCHEMBL15294419 0.67 CYP3A4 (0.76) CYP3A4CYP17A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9056855-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2015-06-16 US claimed
EP-2632903-A2 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals, Inc. (US) 2013-09-04 EP claimed
WO-2012058529-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-03 WO claimed
US-9056855-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2015-06-16 US disclosed
US-9056855-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2015-06-16 US disclosed
US-9056855-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2015-06-16 US disclosed
EP-2651905-A2 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals, Inc. (US) 2013-10-23 EP disclosed
US-20130261135-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2013-10-03 US disclosed
US-20130261135-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2013-10-03 US disclosed
US-20130261135-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2013-10-03 US disclosed
EP-2632903-A2 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals, Inc. (US) 2013-09-04 EP disclosed
WO-2012082746-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-06-21 WO disclosed
WO-2012058529-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-03 WO disclosed
WO-2012058529-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-03 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 (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-20130261135-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO CYP3A4 558/4885SCN9A 2026/4885PDE10A 3633/4885

“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.