SCHEMBL3203664

SCHEMBL3203664

NC(=O)Cc1c[nH]c2cccnc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ICMT O60725 8/20 0.45
HDAC1 Q13547 1/20 0.44
PSMD14 O00487 1/20 0.42
ITK Q08881 1/20 0.42
ADRB2 P07550 1/20 0.40
KMT2A Q03164 4/20 0.40
POLB P06746 1/20 0.40
PARP1 P09874 2/20 0.40
MEN1 O00255 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MMP2 P08253 1/20 0.39
CYP1A2 P05177 1/20 0.38
HTR1A P08908 1/20 0.38
TSHR P16473 1/20 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
SCHEMBL10185730 0.86 KDM4E (0.53) GAANPSR1HDAC1PSMD14KMT2A
SCHEMBL3215634 0.81 HDAC1 (0.47) HDAC1KMT2APOLBMEN1ALDH1A1
SCHEMBL3193346 0.81 KDM4E (0.43) NPSR1HDAC1PSMD14KMT2APOLB
SCHEMBL3207080 0.79 PKM (0.63) HDAC1KMT2AMEN1KDM4EALDH1A1
SCHEMBL10081670 0.78 PSMD14 (0.44) HDAC1PSMD14KMT2APOLBPARP1
SCHEMBL19410133 0.77 PKM (0.42) HDAC1KMT2APOLBMEN1ALDH1A1
SCHEMBL3213046 0.77 KMT2A (0.50) GAANPSR1KMT2APOLBMEN1
SCHEMBL19100362 0.77 HPGD (0.50) GAAHDAC1KMT2APOLBMEN1
SCHEMBL7277532 0.77 KMT2A (0.62) NPSR1HDAC1KMT2APOLBMEN1
SCHEMBL31642354 0.77 KMT2A (0.62) NPSR1HDAC1KMT2APOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20170355695-A1 SMYD Inhibitors Epizyme, Inc. (US) 2017-12-14 US disclosed
CN-105263915-A Glutamase inhibitors and method of use AGIOS PHARMACEUTICALS INC 2016-01-20 CN disclosed
US-20100029629-A1 ACYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US disclosed
US-20100029629-A1 ACYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US disclosed
US-20100029629-A1 ACYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US disclosed
WO-2010011546-A2 ACYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-28 WO disclosed
WO-2010011546-A2 ACYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-28 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 (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 GAA 1822/4885NPSR1 4290/4885ICMT 3961/4885
US-20170355695-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 GAA 1374/4885NPSR1 4052/4885ICMT 3637/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 GAA 1370/4885NPSR1 4045/4885ICMT 3679/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 GAA 1705/4885NPSR1 3761/4885ICMT 3041/4885
US-20100029629-A1 ACYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR1A, HTR5A GAA 4223/4885NPSR1 36/4885ICMT 3184/4885
US-20230101819-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 GAA 1428/4885NPSR1 4045/4885ICMT 3669/4885

“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.