SCHEMBL3724802

SCHEMBL3724802

CC(C)(C)OC(=O)N1CCc2cc(C(=O)Nc3nnc(Cc4ccccc4Br)s3)ccc2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.46
LMNA P02545 3/20 0.45
GLA P06280 1/20 0.45
MAPK1 P28482 1/20 0.45
NOD2 Q9HC29 1/20 0.45
NR1H2 P55055 1/20 0.43
GLS O94925 2/20 0.43
GRAMD1A Q96CP6 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PTGER3 P43115 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GCK P35557 4/20 0.40

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
SCHEMBL3731644 0.91 DGAT1 (0.47) ESR2LMNAGLAMAPK1NOD2
SCHEMBL3734829 0.91 LMNA (0.51) ESR2LMNAGLAMAPK1NOD2
SCHEMBL3727207 0.89 ESR2 (0.44) ESR2LMNAGLAMAPK1NOD2
SCHEMBL3731029 0.89 SIRT2 (0.45) ESR2LMNAGLAMAPK1NOD2
SCHEMBL3740010 0.89 RXFP1 (0.53) ESR2LMNAGLAMAPK1NOD2
SCHEMBL3723745 0.88 GLS (0.44) ESR2LMNAGLAMAPK1NOD2
SCHEMBL3733053 0.88 LMNA (0.48) ESR2LMNAGLAMAPK1NOD2
SCHEMBL3727359 0.86 LMNA (0.43) ESR2LMNAGLAMAPK1NOD2
SCHEMBL3728195 0.86 LMNA (0.62) ESR2LMNAGLAMAPK1NOD2
SCHEMBL3733264 0.86 GLS (0.44) ESR2LMNAGLAMAPK1NOD2

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 ESR2 3678/4885LMNA 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.