SCHEMBL15919397

SCHEMBL15919397

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
LMNA P02545 6/20 0.48
KDM4E B2RXH2 5/20 0.48
GAA P10253 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 3/20 0.48
MAPT P10636 3/20 0.47
P4HB P07237 1/20 0.47
PLA2G2A P14555 3/20 0.46
PDE10A Q9Y233 1/20 0.46
RAB9A P51151 6/20 0.45
KMT2A Q03164 4/20 0.44
NPC1 O15118 4/20 0.44
ALOX12 P18054 2/20 0.44
HSP90AA1 P07900 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MCL1 Q07820 1/20 0.44
DHODH Q02127 1/20 0.44
MEN1 O00255 3/20 0.43
TP53 P04637 2/20 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
SCHEMBL15904934 0.95 ALDH1A1 (0.48) ALDH1A1LMNAKDM4EGAASMN1; SMN2
Hydrochloric Acid SCHEMBL17313771 0.94 ALDH1A1 (0.47) ALDH1A1LMNAKDM4EGAASMN1; SMN2
SCHEMBL15919614 0.91 ALDH1A1 (0.48) ALDH1A1LMNAKDM4EGAASMN1; SMN2
SCHEMBL15905441 0.90 ALDH1A1 (0.47) ALDH1A1LMNAKDM4EGAASMN1; SMN2
SCHEMBL15905407 0.89 ALDH1A1 (0.46) ALDH1A1LMNAKDM4EGAASMN1; SMN2
SCHEMBL15919255 0.89 PLA2G2A (0.60) ALDH1A1LMNAKDM4ESMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL17313806 0.88 PLA2G2A (0.59) ALDH1A1LMNAKDM4ESMN1; SMN2MAPT
SCHEMBL15905491 0.87 HDAC1 (0.46) ALDH1A1LMNAKDM4EGAASMN1; SMN2
SCHEMBL15905335 0.87 ALDH1A1 (0.47) ALDH1A1LMNAKDM4EGAASMN1; SMN2
SCHEMBL15905067 0.86 TP53 (0.50) ALDH1A1LMNAKDM4EGAASMN1; SMN2

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 ALDH1A1 289/4885LMNA 4266/4885KDM4E 3322/4885

“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.