SCHEMBL16403188

SCHEMBL16403188

CCOc1n[nH]c(C)c1CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
PKM P14618 1/20 0.41
MAPT P10636 2/20 0.41
RPS6KA2 Q15349 1/20 0.41
HSD17B10 Q99714 2/20 0.40
RECQL P46063 2/20 0.40
HPGD P15428 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
LRRK2 Q5S007 1/20 0.39
TSHR P16473 2/20 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
SCHEMBL3263621 0.72 SLC5A1 (0.50) KMT2AALDH1A1MEN1HSD17B10SMN1; SMN2
SCHEMBL21996386 0.71 MEN1 (0.52) KMT2AADRA1DADRA1AADRA1BMEN1
SCHEMBL7374568 0.71 MAPT (0.50) KMT2AALDH1A1MEN1PKMMAPT
SCHEMBL7168129 0.71 MAPT (0.43) KMT2AALDH1A1MEN1MAPTRECQL
SCHEMBL3261441 0.69 LRRK2 (0.46) KMT2AALDH1A1MEN1MAPTHSD17B10
SCHEMBL16403241 0.68 MAPT (0.44) KMT2AALDH1A1MEN1PKMMAPT
SCHEMBL2087913 0.67 TSHR (0.55) KMT2AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL16402355 0.67 LRRK2 (0.44) KMT2AALDH1A1MEN1MAPTHSD17B10
SCHEMBL18096485 0.66 MAPT (0.54) KMT2AALDH1A1MAPTHSD17B10HPGD
SCHEMBL17156270 0.66 HSD17B10 (0.43) KMT2AALDH1A1MEN1MAPTHSD17B10

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-10150764-B2 Substituted benzene compounds Epizyme, Inc. (US) 2018-12-11 US disclosed
EP-3022184-B1 SUBSTITUTED BENZENE COMPOUNDS EPIZYME INC (US) 2017-09-27 EP disclosed
US-20160194316-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. 2016-07-07 US disclosed
EP-3022184-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2016-05-25 EP disclosed
WO-2015010049-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2015-01-22 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 (2 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-20160194316-A1 SUBSTITUTED BENZENE COMPOUNDS CYP1B1, TP53, VHL KMT2A 1120/4885ADRA1D 2787/4885ADRA1A 2227/4885
US-10150764-B2 Substituted benzene compounds CYP1B1, TP53, VHL KMT2A 1120/4885ADRA1D 2787/4885ADRA1A 2227/4885

“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.