SCHEMBL3729965

SCHEMBL3729965

Cc1ccccc1OCc1nnc(NC(=O)c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
ESR2 Q92731 1/20 0.47
LMNA P02545 3/20 0.45
ALDH1A1 P00352 3/20 0.45
RXFP1 Q9HBX9 1/20 0.45
GLA P06280 1/20 0.45
MAPK1 P28482 1/20 0.45
NOD2 Q9HC29 1/20 0.45
PTGER3 P43115 1/20 0.44
POLB P06746 3/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
HIF1A Q16665 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
GRAMD1A Q96CP6 1/20 0.42
NOTUM Q6P988 1/20 0.42
GLS O94925 1/20 0.42
MAP3K5 Q99683 3/20 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
SCHEMBL3725062 0.92 ESR2 (0.47) NPSR1ESR2LMNAALDH1A1RXFP1
SCHEMBL3727140 0.92 LMNA (0.49) NPSR1ESR2LMNAALDH1A1RXFP1
SCHEMBL3738185 0.92 MAPT (0.48) NPSR1ESR2LMNAALDH1A1RXFP1
SCHEMBL3723637 0.90 ESR2 (0.45) NPSR1ESR2LMNAALDH1A1RXFP1
SCHEMBL3738457 0.90 ESR2 (0.45) NPSR1ESR2LMNAALDH1A1RXFP1
SCHEMBL3728458 0.90 ESR2 (0.45) NPSR1ESR2LMNAALDH1A1RXFP1
SCHEMBL3738283 0.89 PTGER3 (0.46) NPSR1ESR2LMNAALDH1A1RXFP1
SCHEMBL3731618 0.88 ESR2 (0.46) NPSR1ESR2LMNAALDH1A1GLA
SCHEMBL3726888 0.88 ESR2 (0.47) NPSR1ESR2LMNAALDH1A1RXFP1
SCHEMBL3723583 0.88 ESR2 (0.49) NPSR1ESR2LMNAALDH1A1RXFP1

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 NPSR1 4674/4885ESR2 3678/4885LMNA 2761/4885

“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.