SCHEMBL21780201

SCHEMBL21780201

CC(C)(C)OC(=O)NCCNC(=N)NS(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.47
IDO1 P14902 1/20 0.47
CA1 P00915 9/20 0.46
CA12 O43570 6/20 0.46
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA2 P00918 8/20 0.45
CA9 Q16790 5/20 0.45
BCL2 P10415 1/20 0.44
BCHE P06276 1/20 0.43
NQO2 P16083 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LARS1 Q9P2J5 1/20 0.41
ACACB O00763 1/20 0.41

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
SCHEMBL14831226 0.84 USP2 (0.56) MALT1IDO1CA1CA12CA7
SCHEMBL1161283 0.83 CA1 (0.50) MALT1IDO1CA1CA12CA7
SCHEMBL5394506 0.80 CA1 (0.57) CA1CA12CA7CA14CA2
SCHEMBL28056834 0.80 CA1 (0.49) CA1CA12CA7CA14CA2
SCHEMBL27464975 0.79 IDO1 (0.46) MALT1IDO1CA1CA12CA7
SCHEMBL27202571 0.77 MMP2 (0.53) MALT1CA1CA12CA7CA14
SCHEMBL1542090 0.77 L3MBTL1 (0.57) MALT1IDO1CA1CA12CA7
SCHEMBL27448413 0.76 CA1 (0.47) MALT1IDO1CA1CA12CA7
SCHEMBL21780202 0.75 IDO1 (0.51) MALT1IDO1CA1CA12CA7
Toluene SCHEMBL28585498 0.75 CA12 (0.52) CA1CA12CA7CA14CA2

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
US-20200325109-A1 IMINO-UREA DERIVATIVES Carolina Cloud Exchange Inc. 2020-10-15 US disclosed
EP-3617198-A1 GUANIDINE DERIVATIVE Lunan Pharmaceutical Group Corporation (CN) 2020-03-04 EP 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-20200325109-A1 IMINO-UREA DERIVATIVES IDO2, IDO1, INMT MALT1 1740/4885IDO1 2/4885CA1 3540/4885

“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.