SCHEMBL15919600

SCHEMBL15919600

NNC(=O)c1cc(-c2ccc(-c3ccc(CN4CCOCC4)cc3)cc2)nc2ccncc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.56
KDM4E B2RXH2 3/20 0.49
LMNA P02545 2/20 0.49
NPC1 O15118 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
JAK2 O60674 1/20 0.47
DYRK1A Q13627 1/20 0.47
MOK Q9UQ07 4/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
XBP1 P17861 1/20 0.46

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
SCHEMBL15905202 0.94 KCNH2 (0.52) KCNH2KDM4ELMNANPC1CYP3A4
SCHEMBL15904995 0.87 MAPT (0.50) KCNH2KDM4ELMNANPC1CYP3A4
SCHEMBL15919738 0.86 ALDH1A1 (0.51) KCNH2KDM4ELMNANPC1CYP3A4
Hydrochloric Acid SCHEMBL15905149 0.86 MAPT (0.49) KCNH2KDM4ELMNANPC1CYP3A4
Hydrochloric Acid SCHEMBL15905255 0.85 ALDH1A1 (0.51) KCNH2KDM4ELMNANPC1CYP3A4
SCHEMBL15905383 0.85 MAPT (0.57) KDM4ELMNACYP3A4CYP2C9CYP2C19
SCHEMBL17313740 0.83 ALDH1A1 (0.61) KCNH2KDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL15904821 0.83 MAPT (0.47) KDM4ELMNANPC1CYP3A4CYP2C9
SCHEMBL15905433 0.81 DHODH (0.55) KDM4ELMNACYP3A4CYP2C9ALDH1A1
SCHEMBL15919743 0.81 L3MBTL1 (0.51) KDM4ELMNANPC1NPSR1ALDH1A1

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 9 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
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 KCNH2 2250/4885KDM4E 3322/4885LMNA 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.