SCHEMBL4935498

SCHEMBL4935498

Cc1ccc(/C=N/[S+]([O-])C(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
GRIN2D O15399 2/20 0.39
GRIN3B O60391 2/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2A Q12879 2/20 0.39
GRIN2B Q13224 2/20 0.39
GRIN2C Q14957 2/20 0.39
GRIN3A Q8TCU5 2/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ATM Q13315 1/20 0.38
PTGS2 P35354 2/20 0.37
CA12 O43570 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
PTGS1 P23219 1/20 0.37
ALDH1A1 P00352 4/20 0.36
CYP2A6 P11509 1/20 0.35

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
SCHEMBL30725833 1.00 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AGRIN2DGRIN3B
SCHEMBL24017054 1.00 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AGRIN2DGRIN3B
SCHEMBL4935506 1.00 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AGRIN2DGRIN3B
SCHEMBL30725825 1.00 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AGRIN2DGRIN3B
SCHEMBL22159270 0.90 NPC1 (0.40) SMN1; SMN2NPC1RAB9AGRIN2DGRIN3B
SCHEMBL22159273 0.90 NPC1 (0.40) SMN1; SMN2NPC1RAB9AGRIN2DGRIN3B
SCHEMBL22159277 0.90 NPC1 (0.40) SMN1; SMN2NPC1RAB9AGRIN2DGRIN3B
SCHEMBL20644879 0.83 MAOB (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL25197895 0.83 TRPA1 (0.40) SMN1; SMN2NPC1RAB9AGRIN2DGRIN3B
SCHEMBL25197894 0.83 TRPA1 (0.40) SMN1; SMN2NPC1RAB9AGRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111518166-B Peptidomimetics compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof 中国药科大学 2023-01-31 CN disclosed
EP-4110397-A1 SYSTEMS AND METHODS FOR PROTECTING NUCLEIC-ACID MOLECULES The Board of Trustees of the Leland Stanford Junior University (US) 2023-01-04 EP disclosed
CN-111518166-A Peptide-like compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof 中国药科大学 2020-08-11 CN disclosed
WO-2012177893-A2 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2012-12-27 WO disclosed
WO-2009083526-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-07-09 WO disclosed
US-20080132536-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED 2008-06-05 US disclosed
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED (GB) 2007-05-17 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 (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-20080132536-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4C SMN1; SMN2 4774/4885NPC1 2951/4885RAB9A 857/4885
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors PDE4B, PDE3B, PDE4A SMN1; SMN2 3929/4885NPC1 4430/4885RAB9A 1399/4885

“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.