SCHEMBL5579532

SCHEMBL5579532

NC(=O)c1ccc2c(c1)NCCN2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
KMT2A Q03164 2/20 0.42
LCK P06239 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PARP1 P09874 7/20 0.41
PARP10 Q53GL7 2/20 0.41
PARP4 Q9UKK3 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
RPS6KA3 P51812 1/20 0.40
PDPK1 O15530 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PARP15 Q460N3 1/20 0.39

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
SCHEMBL20743155 0.92 KDM4E (0.49) TSHRKDM4EMAPTSIRT2LCK
SCHEMBL4437948 0.88 TSHR (0.44) TSHRKDM4EMAPTSIRT2KMT2A
SCHEMBL5380029 0.83 KDM4E (0.61) TSHRKDM4EMAPTSIRT2KMT2A
SCHEMBL29779540 0.81 KDM4E (0.58) KDM4EMAPTSIRT2CA1CA2
SCHEMBL4051485 0.81 KDM4E (0.58) KDM4EMAPTSIRT2CA1CA2
SCHEMBL20742883 0.81 SMYD3 (0.44) KDM4EMAPTSIRT2RPS6KA3PDPK1
SCHEMBL17966740 0.81 KDM4E (0.46) TSHRKDM4EMAPTSIRT2LCK
Hydrochloric Acid SCHEMBL30263125 0.80 KDM4E (0.57) KDM4EMAPTSIRT2CA1CA2
SCHEMBL28212622 0.79 NNMT (0.50) TSHRKDM4EMAPTSIRT2LCK
SCHEMBL30011603 0.78 KDM4E (0.73) KDM4EMAPTSIRT2GAACA1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase METHYLGENE, INC. (CA) 2007-07-05 US claimed
US-20230101819-A1 SMYD Inhibitors EPIZYME INC (US) 2023-03-30 US disclosed
US-20210198252-A1 SMYD INHIBITORS EPIZYME INC (US) 2021-07-01 US disclosed
US-20190322660-A1 SMYD INHIBITORS Epizyme, Inc. 2019-10-24 US disclosed
US-10266526-B2 Substituted 1,2,3-triazoles as SMYD inhibitors for treating cancer Epizyme, Inc. (US) 2019-04-23 US disclosed
CN-108699038-A Loop coil heptane salicylamide and related compound as Rock inhibitor 百时美施贵宝公司 2018-10-23 CN disclosed
US-20170355695-A1 SMYD Inhibitors Epizyme, Inc. (US) 2017-12-14 US disclosed
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase METHYLGENE, INC. (CA) 2007-07-05 US 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 (6 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-10266526-B2 Substituted 1,2,3-triazoles as SMYD inhibitors for treating cancer SMYD3, SMYD2, SNRPD3 TSHR 3994/4885KDM4E 141/4885MAPT 3644/4885
US-20170355695-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 TSHR 4530/4885KDM4E 137/4885MAPT 3529/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 TSHR 4520/4885KDM4E 139/4885MAPT 3568/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 TSHR 4703/4885KDM4E 233/4885MAPT 4031/4885
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase HDAC5, HDAC4, HDAC3 TSHR 2136/4885KDM4E 69/4885MAPT 3195/4885
US-20230101819-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 TSHR 4510/4885KDM4E 141/4885MAPT 3554/4885

“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.