SCHEMBL15919496

SCHEMBL15919496

O=C1C2CCCCN2C(=O)N1c1ccc(Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.52
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 4/20 0.48
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
GAA P10253 1/20 0.46
ATM Q13315 1/20 0.46
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40
HSP90AA1 P07900 1/20 0.40
FAAH O00519 1/20 0.40
MGLL Q99685 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
SCHEMBL11557413 0.85 KMT2A (0.68) ARALDH1A1KMT2ACYP2D6CYP2C9
SCHEMBL11041126 0.85 AR (0.55) ARALDH1A1KMT2APOLBMEN1
SCHEMBL5740800 0.84 KMT2A (0.66) ARALDH1A1KMT2AGAAMEN1
SCHEMBL13879514 0.81 ALDH1A1 (0.60) ARALDH1A1KMT2AMAPK1GAA
SCHEMBL15904944 0.81 AR (0.49) ARALDH1A1KMT2APOLBMEN1
SCHEMBL13879545 0.80 AR (0.60) ARALDH1A1KMT2ACYP2C9CYP2C19
SCHEMBL11174171 0.80 AR (0.64) ARALDH1A1KMT2ACYP2C9MAPK1
SCHEMBL12543889 0.80 AR (0.56) ARALDH1A1KMT2APOLBMEN1
SCHEMBL11185120 0.80 AR (0.39) ARALDH1A1KMT2ACYP2D6CYP2C9
SCHEMBL5740339 0.80 KMT2A (0.72) ARALDH1A1KMT2AGAAPOLB

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-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 US disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 US disclosed
WO-2014117090-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-07-31 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-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO AR 4016/4885ALDH1A1 289/4885KMT2A 1886/4885

“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.