SCHEMBL15904792

SCHEMBL15904792

NNC(=O)c1cc(-c2ccc(C#Cc3ccc(C(=O)NCCO)cc3)cc2)nc2ccncc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
KMT2A Q03164 1/20 0.46
RAD52 P43351 1/20 0.44
UBE2N P61088 1/20 0.44
ALDH1A1 P00352 4/20 0.44
GAA P10253 3/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
P4HB P07237 1/20 0.44
KDM4E B2RXH2 3/20 0.41
GPR84 Q9NQS5 2/20 0.41
TP53 P04637 2/20 0.41
ACP1 P24666 1/20 0.41
NEK1 Q96PY6 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CLK2 P49760 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 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
SCHEMBL15904943 0.94 TP53 (0.44) MEN1CACNA1BAPBA1KMT2ARAD52
SCHEMBL15904907 0.93 RAD52 (0.43) MEN1CACNA1BAPBA1KMT2ARAD52
SCHEMBL15905251 0.93 RAD52 (0.43) MEN1KMT2ARAD52UBE2NALDH1A1
SCHEMBL15905414 0.90 MAPT (0.44) MEN1KMT2ARAD52UBE2NALDH1A1
SCHEMBL15905358 0.88 ALDH1A1 (0.45) MEN1KMT2ARAD52UBE2NALDH1A1
SCHEMBL15905075 0.87 GAA (0.44) MEN1CACNA1BAPBA1KMT2AALDH1A1
SCHEMBL15905400 0.86 ALDH1A1 (0.44) MEN1KMT2ARAD52UBE2NALDH1A1
SCHEMBL15905428 0.86 MAPT (0.41) MEN1KMT2ARAD52UBE2NALDH1A1
SCHEMBL15904955 0.85 ALDH1A1 (0.41) ALDH1A1GAAMAPTLMNAP4HB
SCHEMBL15904775 0.85 POLB (0.47) MEN1KMT2AALDH1A1GAAMAPT

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 11 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 claimed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 US claimed
EP-2948450-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals, Inc. (US) 2015-12-02 EP claimed
WO-2014117090-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-07-31 WO claimed
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-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
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 MEN1 511/4885CACNA1B 2814/4885APBA1 1798/4885

“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.