SCHEMBL3729629

SCHEMBL3729629

CN(C(=O)c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2)c1nnc(COc2ccccc2Cl)s1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.47
NR1H2 P55055 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.36
RAB9A P51151 2/20 0.36
GPR119 Q8TDV5 2/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
P2RX3 P56373 3/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
PTK2 Q05397 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAP3K5 Q99683 2/20 0.35
NAMPT P43490 1/20 0.35
MKNK1 Q9BUB5 2/20 0.35
CCNK O75909 1/20 0.35
CDK12 Q9NYV4 1/20 0.35
BCL2 P10415 1/20 0.35

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
SCHEMBL3727140 0.85 LMNA (0.49) ESR2NR1H2RAB9ANPC1HTT
SCHEMBL3728409 0.81 ESR2 (0.48) ESR2NR1H2RAB9ANPC1JAK2
SCHEMBL3723598 0.80 SYK (0.41) L3MBTL1RAB9ANPC1HTTSMN1; SMN2
SCHEMBL4554910 0.79 HPGD (0.35) L3MBTL1RAB9ANPC1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL3729480 0.79 SYK (0.41) L3MBTL1RAB9ANPC1HTTSMN1; SMN2
SCHEMBL3732043 0.78 LMNA (0.48) ESR2NR1H2HTTSMN1; SMN2ALDH1A1
SCHEMBL3729473 0.78 ESR2 (0.51) ESR2NR1H2RAB9ANPC1HTT
SCHEMBL3741798 0.77 ESR2 (0.47) ESR2NR1H2L3MBTL1RAB9AGPR119
SCHEMBL3728161 0.77 ESR2 (0.47) ESR2NR1H2RAB9ANPC1HTT
SCHEMBL3727225 0.77 ESR2 (0.48) ESR2NR1H2RAB9ANPC1HTT

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 5 patents. 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
US-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE BOUILLOT ANNE MARIE JEANNE 2010-05-13 US disclosed
US-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE BOUILLOT ANNE MARIE JEANNE 2010-05-13 US disclosed
EP-2125799-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE Smithkline Beecham Corporation (US) 2009-12-02 EP disclosed
WO-2008104524-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE SMITHKLINE BEECHAM CORPORATION (US) 2008-09-04 WO 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 3678/4885NR1H2 182/4885L3MBTL1 3539/4885

“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.