SCHEMBL7130465

SCHEMBL7130465

CC(C)(C)OC(=O)Nc1cc(Cl)cc(NC(N)=S)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 3/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
XBP1 P17861 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 4/20 0.41
SLC13A3 Q8WWT9 1/20 0.40
IDO1 P14902 1/20 0.39
LMNA P02545 1/20 0.39
ALOX12 P18054 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
CYP17A1 P05093 1/20 0.38
MAP4K4 O95819 1/20 0.38

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
SCHEMBL3786493 0.89 L3MBTL1 (0.44) ALDH1A1MAPTMEN1HPGDXBP1
SCHEMBL5879121 0.86 L3MBTL1 (0.47) ALDH1A1MAPTMEN1HPGDXBP1
SCHEMBL12071196 0.83 CYP17A1 (0.51) MAPKAPK2ALDH1A1MAPTHPGDKMT2A
SCHEMBL6810856 0.82 MAPKAPK2 (0.42) MAPKAPK2ALDH1A1MAPTMEN1HPGD
SCHEMBL31254121 0.82 MAPKAPK2 (0.42) MAPKAPK2ALDH1A1MAPTMEN1HPGD
SCHEMBL6680965 0.81 ALDH1A1 (0.46) MAPKAPK2ALDH1A1MEN1KMT2AGAA
SCHEMBL31093899 0.80 CA12 (0.43) ALDH1A1MAPTMEN1HPGDXBP1
SCHEMBL22081738 0.80 CA12 (0.43) ALDH1A1MAPTMEN1HPGDXBP1
SCHEMBL22032877 0.79 CA12 (0.39) MAPKAPK2ALDH1A1MAPTMEN1HPGD
SCHEMBL22081737 0.79 LCK (0.41) ALDH1A1MAPTMEN1HPGDXBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030176454-A1 N-coating heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 US disclosed
WO-2001087845-A2 N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-22 WO 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-20030176454-A1 N-coating heterocyclic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GNE, NIT2 MAPKAPK2 3499/4885ALDH1A1 2482/4885MAPT 3896/4885

“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.