SCHEMBL3727461

SCHEMBL3727461

CC(C)(C)OC(=O)N1CCc2cc(C(=O)Nc3nnc(COc4ccc(Cl)c(Cl)c4)s3)ccc2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.48
LMNA P02545 3/20 0.48
GLA P06280 1/20 0.48
MAPK1 P28482 1/20 0.48
NOD2 Q9HC29 1/20 0.48
KMT2A Q03164 3/20 0.45
GRAMD1A Q96CP6 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 2/20 0.44
POLB P06746 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
GCK P35557 8/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TMPRSS2 O15393 1/20 0.41
MAPT P10636 1/20 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
SCHEMBL3729696 0.92 KMT2A (0.54) ESR2LMNAGLAMAPK1NOD2
SCHEMBL3727174 0.90 LMNA (0.48) ESR2LMNAGLAMAPK1NOD2
SCHEMBL3726888 0.90 ESR2 (0.47) ESR2LMNAGLAMAPK1NOD2
SCHEMBL3723583 0.90 ESR2 (0.49) ESR2LMNAGLAMAPK1NOD2
SCHEMBL3729473 0.90 ESR2 (0.51) ESR2LMNAGLAMAPK1NOD2
SCHEMBL3729140 0.90 SMN1; SMN2 (0.49) ESR2LMNAKMT2AGRAMD1AALDH1A1
SCHEMBL3738472 0.89 DGAT1 (0.49) ESR2LMNAGLAMAPK1NOD2
SCHEMBL3727225 0.89 ESR2 (0.48) ESR2LMNAGLAMAPK1NOD2
SCHEMBL3727140 0.88 LMNA (0.49) ESR2LMNAGLAMAPK1NOD2
SCHEMBL3732036 0.88 LMNA (0.49) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825115-B2 Cyclic urea compounds, preparation thereof and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA S.A. (FR) 2010-11-02 US disclosed
US-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE BOUILLOT ANNE MARIE JEANNE 2010-05-13 US disclosed
US-20080108654-A1 Cyclic Urea Compounds, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors AVENTIS PHARMA S.A. (FR) 2008-05-08 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 (2 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-20080108654-A1 Cyclic Urea Compounds, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors PRKG1, PRKACA, CMPK1 ESR2 3543/4885LMNA 1988/4885GLA 4012/4885
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.