SCHEMBL3734752

SCHEMBL3734752

NC(=S)NNC(=O)COc1cc(F)ccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.57
ATM Q13315 1/20 0.57
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ALOX12 P18054 1/20 0.51
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
MAPT P10636 2/20 0.45
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
ADAMTS5 Q9UNA0 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
HTT P42858 1/20 0.42
IDO1 P14902 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL3737663 0.89 ALDH1A1 (0.60) GAAATMALDH1A1MEN1KMT2A
SCHEMBL3737643 0.86 GAA (0.56) GAAATMALDH1A1MEN1KMT2A
SCHEMBL3727621 0.83 GAA (0.59) GAAATMALDH1A1MEN1KMT2A
SCHEMBL3733772 0.83 GAA (0.71) GAAATMALDH1A1MEN1KMT2A
SCHEMBL3725036 0.78 ALDH1A1 (0.64) GAAATMALDH1A1MEN1KMT2A
SCHEMBL3738177 0.77 GAA (0.71) GAAATMALDH1A1MEN1KMT2A
SCHEMBL3729834 0.76 PTGDR2 (0.62) KMT2AMAPTL3MBTL1PTGDR2CYP2C19
SCHEMBL4910990 0.76 TRPM4 (0.64) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL3727028 0.73 GAA (0.56) GAAATMALDH1A1MEN1KMT2A
SCHEMBL4904826 0.73 KDM4E (0.63) GAAALDH1A1MEN1KMT2ARAB9A

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 GAA 735/4885ATM 3093/4885ALDH1A1 458/4885

“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.