SCHEMBL15919486

SCHEMBL15919486

COc1cc(-c2cc(C(=O)NNC(=O)OC(C)(C)C)c3cnccc3n2)ccc1C#Cc1ccc(C(=O)N2CCCCC2C(=O)O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
ROCK2 O75116 1/20 0.36
ACACB O00763 5/20 0.36
ACACA Q13085 4/20 0.36
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 2/20 0.33
KCNQ1 P51787 1/20 0.33
GYS1 P13807 1/20 0.33
GALR3 O60755 1/20 0.32
NR2F2 P24468 1/20 0.32
PREP P48147 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL15919492 0.96 ROCK2 (0.38) KMT2AROCK2ACACBACACAALDH1A1
SCHEMBL15919379 0.93 ACACB (0.36) KMT2AACACBACACAALDH1A1SMN1; SMN2
SCHEMBL15919289 0.92 ACACB (0.41) ROCK2ACACBACACAALDH1A1KCNQ1
SCHEMBL15919489 0.91 KMT2A (0.37) KMT2AALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL15919287 0.90 ACACB (0.37) KMT2AACACBACACASMN1; SMN2KCNQ1
SCHEMBL17323683 0.90 ACACB (0.37) KMT2AROCK2ACACBACACAMAPT
SCHEMBL15904952 0.89 KMT2A (0.38) KMT2AALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL15919377 0.89 ACACB (0.37) KMT2AROCK2ACACBACACASMN1; SMN2
Hydrochloric Acid SCHEMBL17313712 0.89 KMT2A (0.37) KMT2AALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL15919284 0.89 ACACB (0.41) KMT2AROCK2ACACBACACARAB9A

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 5 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-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
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 1886/4885ROCK2 2634/4885ACACB 1141/4885

“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.