SCHEMBL15905290

SCHEMBL15905290

CC(C)S(=O)(=O)Nc1ccc(C#Cc2ccc(-c3cc(C(=O)NN)c4cnccc4n3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
GAA P10253 3/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
P4HB P07237 1/20 0.41
CYP3A4 P08684 4/20 0.39
MEN1 O00255 7/20 0.39
KMT2A Q03164 7/20 0.39
KDM4E B2RXH2 4/20 0.39
POLB P06746 2/20 0.39
CYP2C9 P11712 3/20 0.38
HTT P42858 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CNR1 P21554 2/20 0.38
GPR55 Q9Y2T6 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL15905544 0.90 MAPK10 (0.44) ALDH1A1GAALMNAMAPTP4HB
Hydrochloric Acid SCHEMBL15905183 0.89 MAPK10 (0.43) ALDH1A1GAALMNAMAPTP4HB
SCHEMBL15905042 0.89 ALDH1A1 (0.45) ALDH1A1GAALMNAMAPTP4HB
SCHEMBL15905554 0.86 ALDH1A1 (0.42) ALDH1A1GAALMNAMAPTP4HB
SCHEMBL15919748 0.86 MAPT (0.42) ALDH1A1GAALMNAMAPTP4HB
SCHEMBL15905523 0.85 MAPT (0.42) ALDH1A1GAALMNAMAPTP4HB
SCHEMBL15905186 0.84 KMT2A (0.53) ALDH1A1GAALMNAMAPTP4HB
SCHEMBL15905277 0.84 MAPT (0.41) ALDH1A1GAALMNAMAPTP4HB
SCHEMBL15905427 0.84 MAPT (0.41) ALDH1A1GAALMNAMAPTP4HB
SCHEMBL15905092 0.84 MAPT (0.41) ALDH1A1GAALMNAMAPTP4HB

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 ALDH1A1 289/4885GAA 6/4885LMNA 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.