SCHEMBL3729140

SCHEMBL3729140

COc1ccc(OCc2nnc(NC(=O)c3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)s2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
ESR2 Q92731 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 1/20 0.47
RXFP1 Q9HBX9 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GRAMD1A Q96CP6 1/20 0.46
TMPRSS2 O15393 1/20 0.45
GLS O94925 1/20 0.45
MAPT P10636 4/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
GCK P35557 1/20 0.43

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
SCHEMBL3738472 0.93 DGAT1 (0.49) ESR2LMNARXFP1ALDH1A1GRAMD1A
SCHEMBL3729696 0.93 KMT2A (0.54) SMN1; SMN2ESR2NPC1RAB9ALMNA
SCHEMBL3726888 0.91 ESR2 (0.47) ESR2LMNARXFP1ALDH1A1GRAMD1A
SCHEMBL3727461 0.90 ESR2 (0.48) SMN1; SMN2ESR2NPC1RAB9ALMNA
SCHEMBL3725062 0.89 ESR2 (0.47) ESR2LMNARXFP1ALDH1A1GRAMD1A
SCHEMBL3729675 0.88 LMNA (0.48) SMN1; SMN2ESR2NPC1RAB9ALMNA
SCHEMBL3727174 0.88 LMNA (0.48) SMN1; SMN2ESR2NPC1RAB9ALMNA
SCHEMBL3729473 0.87 ESR2 (0.51) SMN1; SMN2ESR2NPC1RAB9ALMNA
SCHEMBL3728205 0.86 ESR2 (0.47) SMN1; SMN2ESR2NPC1RAB9ALMNA
SCHEMBL3725240 0.86 LMNA (0.47) SMN1; SMN2ESR2NPC1RAB9ALMNA

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 SMN1; SMN2 2732/4885ESR2 3678/4885NPC1 416/4885

“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.