SCHEMBL3733264

SCHEMBL3733264

Cn1cc(Cc2nnc(NC(=O)c3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)s2)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 5/20 0.44
LMNA P02545 3/20 0.43
GLA P06280 1/20 0.43
MAPK1 P28482 1/20 0.43
NOD2 Q9HC29 1/20 0.43
ESR2 Q92731 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
SRC P12931 1/20 0.40
GRAMD1A Q96CP6 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NR1H2 P55055 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL3731029 0.87 SIRT2 (0.45) GLSLMNAGLAMAPK1NOD2
SCHEMBL3727359 0.86 LMNA (0.43) GLSLMNAGLAMAPK1NOD2
SCHEMBL3734829 0.86 LMNA (0.51) GLSLMNAGLAMAPK1NOD2
SCHEMBL3724802 0.86 ESR2 (0.46) GLSLMNAGLAMAPK1NOD2
SCHEMBL3731644 0.86 DGAT1 (0.47) GLSLMNAGLAMAPK1NOD2
SCHEMBL3728195 0.85 LMNA (0.62) GLSLMNAGLAMAPK1NOD2
SCHEMBL3740010 0.85 RXFP1 (0.53) GLSLMNAGLAMAPK1NOD2
SCHEMBL3723745 0.84 GLS (0.44) GLSLMNAGLAMAPK1NOD2
SCHEMBL3727207 0.84 ESR2 (0.44) GLSLMNAGLAMAPK1NOD2
SCHEMBL3733053 0.83 LMNA (0.48) GLSLMNAGLAMAPK1NOD2

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 GLS 737/4885LMNA 2761/4885GLA 1875/4885

“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.