SCHEMBL3737663

SCHEMBL3737663

NC(=S)NNC(=O)COc1ccc(F)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
ALOX12 P18054 2/20 0.60
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
GAA P10253 2/20 0.57
ATM Q13315 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.54
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
THRB P10828 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 2/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 3/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL3734752 0.89 GAA (0.57) ALDH1A1MEN1KMT2AALOX12NPC1
SCHEMBL3725036 0.86 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AALOX12NPC1
SCHEMBL3727621 0.86 GAA (0.59) ALDH1A1MEN1KMT2AALOX12NPC1
SCHEMBL3733772 0.83 GAA (0.71) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL27351065 0.81 RAB9A (0.57) ALDH1A1MEN1KMT2AALOX12NPC1
SCHEMBL3737643 0.78 GAA (0.56) ALDH1A1MEN1KMT2AALOX12GAA
SCHEMBL3738177 0.77 GAA (0.71) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL3727991 0.76 TDP1 (0.70) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL27492213 0.76 NPC1 (0.71) ALDH1A1MEN1KMT2AALOX12NPC1
SCHEMBL165819 0.75 NPC1 (0.57) ALDH1A1MEN1KMT2AALOX12NPC1

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 ALDH1A1 458/4885MEN1 4844/4885KMT2A 3443/4885

“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.