SCHEMBL6979301

SCHEMBL6979301

CC(C)c1noc(-c2ccsc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.49
CA2 P00918 4/20 0.47
CA9 Q16790 4/20 0.47
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 2/20 0.38
IKBKB O14920 1/20 0.37
DRD2 P14416 1/20 0.36
HTR6 P50406 1/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
TDO2 P48775 1/20 0.36

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
SCHEMBL2662367 0.77 ACHE (0.53) PPARACA2CA9CA12CA1
SCHEMBL10094556 0.77 MAOA (0.57) MAOAMAOBALDH1A1NPC1RAB9A
SCHEMBL27613895 0.77 PPARA (0.41) PPARACA2CA9CA12CA1
SCHEMBL5385690 0.76 CA2 (0.41) PPARACA2CA9CA12CA1
SCHEMBL6378156 0.76 CA2 (0.41) PPARACA2CA9CA12CA1
SCHEMBL14427085 0.76 CA2 (0.41) PPARACA2CA9CA12CA1
SCHEMBL5385695 0.76 CA2 (0.41) PPARACA2CA9CA12CA1
SCHEMBL6979487 0.75 NR1H4 (0.57) MAOAMAOBALDH1A1NPC1RAB9A
SCHEMBL10094547 0.74 MAOA (0.57) MAOAMAOBALDH1A1NPC1RAB9A
SCHEMBL12385453 0.73 MAOA (0.40) MAOAMAOBALDH1A1NPC1RAB9A

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
US-20210276991-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. 2021-09-09 US disclosed
US-8183276-B2 Therapeutic agents MERCK SHARP & DOHME CORP. 2012-05-22 US disclosed
US-20100324029-A1 THERAPEUTIC AGENTS MERCK SHARP & DOHME CORP. 2010-12-23 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-20100324029-A1 THERAPEUTIC AGENTS PSEN2, PSEN1, BACE2 PPARA 846/4885CA2 1831/4885CA9 3858/4885
US-20210276991-A1 CARDIAC SARCOMERE INHIBITORS TNNI3, TNNT2, MYLK2 PPARA 4371/4885CA2 873/4885CA9 4478/4885

“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.