SCHEMBL3729261

SCHEMBL3729261

NC(=S)NNC(=O)Cc1ccccc1Br

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.51
CA1 P00915 8/20 0.50
CA9 Q16790 8/20 0.50
CA12 O43570 7/20 0.50
CA2 P00918 7/20 0.50
GAA P10253 1/20 0.47
ATM Q13315 1/20 0.47
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
PARP10 Q53GL7 1/20 0.43
GLS O94925 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL11830961 0.82 ALDH1A1 (0.53) MAPK8CA1CA2GAAATM
SCHEMBL3728253 0.81 PKM (0.59) MAPK8GAAATMNPC1RAB9A
SCHEMBL3728259 0.78 ATM (0.65) MAPK8CA1CA9CA12CA2
SCHEMBL30545016 0.78 CA12 (0.56) MAPK8CA1CA9CA12CA2
SCHEMBL21379858 0.78 CA12 (0.56) MAPK8CA1CA9CA12CA2
SCHEMBL3729853 0.76 GAA (0.63) GAAATMKMT2AL3MBTL1SMN1; SMN2
SCHEMBL1395809 0.75 MAPK8 (0.50) MAPK8CA1CA9CA12CA2
SCHEMBL5060693 0.75 PKM (0.59) MAPK8CA1CA9CA12CA2
SCHEMBL6503780 0.74 CA12 (0.53) MAPK8CA1CA9CA12CA2
SCHEMBL16108114 0.74 KMT2A (0.49) CA1CA9CA12CA2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE BOUILLOT ANNE MARIE JEANNE 2010-05-13 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-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 MAPK8 3384/4885CA1 4862/4885CA9 4321/4885

“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.