SCHEMBL15905548

SCHEMBL15905548

CC(C)CN(CC(=O)O)C(=O)c1ccc(C#Cc2ccc(-c3cc(C(=O)NN)c4cnccc4n3)cc2)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PRSS12 P56730 3/20 0.36
▸ MAPT P10636 4/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ LMNA P02545 3/20 0.34
▸ GAA P10253 2/20 0.34
▸ P4HB P07237 1/20 0.34
▸ SLC6A9 P48067 1/20 0.33
▸ TP53 P04637 2/20 0.32
▸ TACR3 P29371 3/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ RAD52 P43351 1/20 0.31
▸ UBE2N P61088 1/20 0.31
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL15919591 0.92 MAPT (0.38) MAPTALDH1A1LMNAGAAP4HB
SCHEMBL15919599 0.91 SLC6A9 (0.36) PRSS12MAPTALDH1A1LMNAGAA
SCHEMBL15919294 0.89 MAPT (0.34) PRSS12MAPTALDH1A1LMNAGAA
SCHEMBL15905087 0.87 LATS1 (0.34) MAPTALDH1A1LMNAGAAP4HB
SCHEMBL17313794 0.85 LMNA (0.38) MAPTALDH1A1LMNAGAAP4HB
SCHEMBL15919298 0.85 TACR3 (0.36) MAPTALDH1A1LMNAGAAP4HB
Hydrochloric Acid SCHEMBL17313841 0.84 TACR3 (0.35) MAPTALDH1A1LMNAGAAP4HB
SCHEMBL15919630 0.83 GAA (0.40) MAPTALDH1A1LMNAGAAP4HB
SCHEMBL15919621 0.82 TP53 (0.40) MAPTALDH1A1LMNAGAAP4HB
SCHEMBL15919576 0.82 MAPT (0.40) MAPTALDH1A1LMNAGAAP4HB

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
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 PRSS12 524/4885MAPT 2507/4885ALDH1A1 289/4885

“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.

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