SCHEMBL3729035

SCHEMBL3729035

O=C(Nc1nnc(COc2ccccc2Cl)s1)c1ccc2c(c1)CCN(C(=O)CO)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
MAPK1 P28482 2/20 0.48
GLA P06280 1/20 0.48
NOD2 Q9HC29 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.45
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 4/20 0.45
HPGD P15428 3/20 0.45
MEN1 O00255 2/20 0.45
POLB P06746 1/20 0.45
RXFP1 Q9HBX9 1/20 0.43
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RAB9A P51151 3/20 0.42
HTT P42858 3/20 0.41
SCD O00767 1/20 0.40
WNT3A P56704 2/20 0.40
NPC1 O15118 2/20 0.40
GCGR P47871 1/20 0.39

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
SCHEMBL3729966 0.91 LMNA (0.50) LMNAMAPK1GLANOD2SMN1; SMN2
SCHEMBL3726219 0.91 LMNA (0.48) LMNAMAPK1GLANOD2SMN1; SMN2
SCHEMBL3727808 0.90 LMNA (0.48) LMNAMAPK1GLANOD2SMN1; SMN2
SCHEMBL3738041 0.88 LMNA (0.50) LMNAMAPK1GLANOD2SMN1; SMN2
SCHEMBL3727140 0.87 LMNA (0.49) LMNAMAPK1GLANOD2SMN1; SMN2
SCHEMBL3728273 0.85 LMNA (0.51) LMNAMAPK1GLANOD2SMN1; SMN2
SCHEMBL3727649 0.84 LMNA (0.44) LMNAMAPK1GLANOD2SMN1; SMN2
SCHEMBL3729076 0.81 LMNA (0.46) LMNAMAPK1GLANOD2SMN1; SMN2
Hydrochloric Acid SCHEMBL3728294 0.81 LMNA (0.45) LMNAMAPK1GLANOD2SMN1; SMN2
SCHEMBL3732043 0.80 LMNA (0.48) LMNAMAPK1GLANOD2SMN1; SMN2

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 9 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 claimed
EP-2125799-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE Smithkline Beecham Corporation (US) 2009-12-02 EP claimed
WO-2008104524-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE SMITHKLINE BEECHAM CORPORATION (US) 2008-09-04 WO claimed
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
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 LMNA 2761/4885MAPK1 3108/4885GLA 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.