SCHEMBL3732036

SCHEMBL3732036

CC(C)(C)OC(=O)N1CCc2cc(C(=O)Nc3nnc(Cc4ccc(Cl)c(Cl)c4)s3)ccc2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
GLA P06280 1/20 0.49
MAPK1 P28482 1/20 0.49
NOD2 Q9HC29 1/20 0.49
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
ESR2 Q92731 1/20 0.48
RXFP1 Q9HBX9 2/20 0.47
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GRAMD1A Q96CP6 1/20 0.42
TMPRSS2 O15393 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NR1H2 P55055 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
SCHEMBL3730968 0.92 L3MBTL1 (0.51) LMNAGLAMAPK1NOD2KMT2A
SCHEMBL3725769 0.91 RXFP1 (0.49) LMNAGLAMAPK1NOD2KMT2A
SCHEMBL3738387 0.90 DGAT1 (0.49) LMNAGLAMAPK1NOD2KMT2A
SCHEMBL3733735 0.89 ESR2 (0.47) LMNAGLAMAPK1NOD2KMT2A
SCHEMBL3740010 0.89 RXFP1 (0.53) LMNAGLAMAPK1NOD2KMT2A
SCHEMBL3727599 0.88 RXFP1 (0.47) LMNAGLAMAPK1NOD2KMT2A
SCHEMBL3727461 0.88 ESR2 (0.48) LMNAGLAMAPK1NOD2KMT2A
SCHEMBL3728160 0.87 ESR2 (0.46) LMNAGLAMAPK1NOD2KMT2A
SCHEMBL3734829 0.87 LMNA (0.51) LMNAGLAMAPK1NOD2KMT2A
SCHEMBL3729479 0.87 ESR2 (0.47) LMNAGLAMAPK1NOD2KMT2A

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 LMNA 2761/4885GLA 1875/4885MAPK1 3108/4885

“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.