SCHEMBL15904693

SCHEMBL15904693

[C]#Cc1ccc(C(=O)NC(C)CC(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPC1 O15118 2/20 0.44
HPGD P15428 2/20 0.43
ACACB O00763 2/20 0.43
HSP90AA1 P07900 1/20 0.42
MLYCD O95822 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41

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
SCHEMBL15905079 0.82 CA2 (0.59) ALDH1A1
SCHEMBL8424831 0.81 SMN1; SMN2 (0.54) KMT2AMEN1RAB9AALDH1A1HTT
SCHEMBL7670820 0.80 RAB9A (0.63) KMT2AMEN1RAB9AALDH1A1HTT
SCHEMBL15904203 0.80 CA2 (0.56) KMT2AMEN1SMN1; SMN2
SCHEMBL17313750 0.79 MEN1 (0.45) KMT2AMEN1RAB9AALDH1A1SMN1; SMN2
SCHEMBL17313721 0.78 KDM4E (0.51) KMT2AMEN1SMN1; SMN2ITGB3ITGA2B
SCHEMBL15904371 0.78 MEN1 (0.44) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL17313731 0.77 MEN1 (0.40) KMT2AMEN1
SCHEMBL15904644 0.77 NPSR1 (0.61)
SCHEMBL7660841 0.77 TAS1R3 (0.57) KMT2AMEN1RAB9AALDH1A1HTT

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 4 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 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

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 KMT2A 1886/4885MEN1 511/4885RAB9A 2721/4885

“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.