SCHEMBL15919489

SCHEMBL15919489

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
KCNQ1 P51787 1/20 0.35
GYS1 P13807 1/20 0.34
RAB9A P51151 2/20 0.34
GALR3 O60755 1/20 0.34
NR2F2 P24468 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
PREP P48147 1/20 0.34
FFAR2 O15552 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TYMS P04818 1/20 0.33
DHODH Q02127 1/20 0.33

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
SCHEMBL15904952 0.92 KMT2A (0.38) KMT2AKCNQ1GYS1RAB9AGALR3
Hydrochloric Acid SCHEMBL17313712 0.92 KMT2A (0.37) KMT2AKCNQ1GYS1RAB9AGALR3
SCHEMBL15919486 0.91 KMT2A (0.36) KMT2AKCNQ1GYS1RAB9AGALR3
SCHEMBL17327495 0.91 TDP1 (0.37) KMT2AKCNQ1ALDH1A1MAPTSMN1; SMN2
SCHEMBL15919380 0.90 GYS1 (0.33) KMT2AGYS1ALDH1A1MAPTMEN1
SCHEMBL17327552 0.88 ALDH1A1 (0.38) KMT2AALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL15919653 0.88 PREP (0.37) KMT2AKCNQ1GYS1RAB9AGALR3
SCHEMBL17327509 0.88 TDP1 (0.34) KMT2AKCNQ1GYS1ALDH1A1MAPT
SCHEMBL15919288 0.87 GYS1 (0.35) KMT2AGYS1SMN1; SMN2KDM4EMEN1
SCHEMBL15919492 0.86 ROCK2 (0.38) KMT2AKCNQ1RAB9AGALR3NR2F2

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 3 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
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 1886/4885KCNQ1 2088/4885GYS1 2885/4885

“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.