SCHEMBL15919561

SCHEMBL15919561

CC(C)CC(C(=O)O)N(C)C(=O)c1ccc(C#Cc2ccc(-c3cc(C(=O)NN)c4cnccc4n3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ P4HB P07237 1/20 0.38
▸ CYP3A4 P08684 3/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ RAD52 P43351 1/20 0.36
▸ UBE2N P61088 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ LATS1 O95835 1/20 0.35
▸ TACR3 P29371 2/20 0.35
▸ ACACB O00763 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL15919611 0.92 MAPT (0.39) MAPTALDH1A1GAALMNAP4HB
SCHEMBL15919584 0.91 MAPT (0.40) MAPTALDH1A1GAALMNAP4HB
SCHEMBL15905501 0.90 MAPT (0.40) MAPTALDH1A1GAALMNAP4HB
SCHEMBL15919582 0.90 MAPT (0.37) MAPTALDH1A1GAALMNAP4HB
SCHEMBL15919414 0.89 ACACB (0.40) MAPTALDH1A1GAACYP3A4MEN1
SCHEMBL15919578 0.89 MAPT (0.39) MAPTALDH1A1GAALMNAP4HB
SCHEMBL15905046 0.87 MAPT (0.39) MAPTALDH1A1GAALMNAP4HB
SCHEMBL15904811 0.87 MAPT (0.39) MAPTALDH1A1GAALMNAP4HB
SCHEMBL15919558 0.86 ALDH1A1 (0.37) MAPTALDH1A1GAALMNAP4HB
SCHEMBL15919295 0.86 MAPT (0.37) MAPTALDH1A1GAALMNAP4HB

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 MAPT 2507/4885ALDH1A1 289/4885GAA 6/4885

“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.

Send feedback