SCHEMBL15905409

SCHEMBL15905409

CCC(=O)NCCOc1ccc(-c2ccc(-c3cc(C(=O)NN)c4cnccc4n3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 6/20 0.48
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 2/20 0.48
GAA P10253 2/20 0.48
RAB9A P51151 4/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 2/20 0.46
ALOX12 P18054 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
HSP90AA1 P07900 1/20 0.46
MAPT P10636 1/20 0.46
PLA2G2A P14555 3/20 0.46
PDE10A Q9Y233 1/20 0.46
TP53 P04637 3/20 0.45
MEN1 O00255 2/20 0.45
DHODH Q02127 1/20 0.43
POLB P06746 3/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL15904789 0.97 TP53 (0.49) KDM4EALDH1A1LMNASMN1; SMN2HTT
SCHEMBL15905335 0.91 ALDH1A1 (0.47) KDM4EALDH1A1LMNASMN1; SMN2HTT
SCHEMBL17313846 0.89 LMNA (0.48) KDM4EALDH1A1LMNASMN1; SMN2HTT
SCHEMBL15905252 0.88 LMNA (0.45) KDM4EALDH1A1LMNASMN1; SMN2HTT
SCHEMBL15919616 0.88 LMNA (0.47) KDM4EALDH1A1LMNASMN1; SMN2HTT
SCHEMBL15905067 0.88 TP53 (0.50) KDM4EALDH1A1LMNASMN1; SMN2HTT
SCHEMBL15904823 0.87 ALDH1A1 (0.44) KDM4EALDH1A1LMNASMN1; SMN2HTT
SCHEMBL15904883 0.87 ROCK2 (0.48) KDM4EALDH1A1LMNASMN1; SMN2HTT
SCHEMBL15905355 0.86 KDM4E (0.45) KDM4EALDH1A1LMNASMN1; SMN2HTT
SCHEMBL15905052 0.86 TP53 (0.48) KDM4EALDH1A1LMNASMN1; SMN2HTT

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 13 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
EP-2948450-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals, Inc. (US) 2015-12-02 EP disclosed
WO-2014117090-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-07-31 WO 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 KDM4E 3322/4885ALDH1A1 289/4885LMNA 4266/4885

“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.