SCHEMBL21780202

SCHEMBL21780202

CC(C)(C)OC(=O)NCCNC(=N)NSc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.51
MALT1 Q9UDY8 1/20 0.45
BCHE P06276 1/20 0.44
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SIGMAR1 Q99720 2/20 0.42
NQO2 P16083 1/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD2 P14416 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
KDM4A O75164 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
SYK P43405 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 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
SCHEMBL19730801 0.80 MEN1 (0.44) IDO1MEN1GAAKMT2ATDP1
SCHEMBL7528860 0.76 MTNR1A (0.62) IDO1MALT1MEN1GAAKMT2A
SCHEMBL21780201 0.75 MALT1 (0.47) IDO1MALT1BCHENQO2CA12
SCHEMBL17548578 0.74 IDO1 (0.51) IDO1MALT1BCHECKS1BSKP1
SCHEMBL31298914 0.74 HPGD (0.55) IDO1MALT1MEN1KMT2A
SCHEMBL24497075 0.73 SIGMAR1 (0.50) IDO1MALT1NPSR1SIGMAR1MEN1
SCHEMBL1754810 0.73 POLB (0.58) IDO1MALT1BCHENPSR1GAA
SCHEMBL7203913 0.73 MALT1 (0.59) IDO1MALT1BCHECKS1BSKP1
SCHEMBL31505697 0.72 MALT1 (0.51) IDO1MALT1BCHECKS1BSKP1
SCHEMBL1927129 0.71 IDO1 (0.64) IDO1NPSR1GAAKMT2APPARG

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
EP-3617198-B1 GUANIDINE DERIVATIVE LUNAN PHARMACEUTICAL GROUP CORP (CN) 2023-10-25 EP disclosed
EP-3617198-A1 GUANIDINE DERIVATIVE Lunan Pharmaceutical Group Corporation (CN) 2020-03-04 EP disclosed
US-20160220558-A1 BENZOQUINOLINE INHIBITORS OF VESICULAR MONOAMINE TRANSPORTER 2 AUSPEX PHARMACUTICALS, INC. 2016-08-04 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 (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-20160220558-A1 BENZOQUINOLINE INHIBITORS OF VESICULAR MONOAMINE TRANSPORTER 2 SLC18A2, SLC6A2, SLC18A1 IDO1 763/4885MALT1 4114/4885BCHE 1161/4885

“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.