SCHEMBL3729614

SCHEMBL3729614

O=C(Nc1nnc(CCOc2ccccc2Cl)s1)c1ccc2c(c1)CCNC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 3/20 0.46
AHR P35869 1/20 0.44
HTT P42858 2/20 0.43
NPC1 O15118 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP3A4 P08684 1/20 0.42
PTGER3 P43115 1/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
GLA P06280 1/20 0.41
MAPK1 P28482 1/20 0.41
NOD2 Q9HC29 1/20 0.41
PTGER1 P34995 2/20 0.40
SRC P12931 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
Hydrochloric Acid SCHEMBL3739957 0.99 GLS (0.46) GLSAHRHTTNPC1SMN1; SMN2
SCHEMBL3729076 0.91 LMNA (0.46) HTTNPC1SMN1; SMN2RAB9AL3MBTL1
Hydrochloric Acid SCHEMBL3728294 0.91 LMNA (0.45) HTTNPC1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL3736852 0.86 GLS (0.49) GLSHTTNPC1SMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL3729681 0.85 GLS (0.48) GLSHTTNPC1SMN1; SMN2RAB9A
SCHEMBL3728941 0.84 LMNA (0.47) HTTNPC1SMN1; SMN2RAB9AL3MBTL1
Hydrochloric Acid SCHEMBL3725743 0.83 LMNA (0.46) HTTNPC1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL3732002 0.83 DGAT1 (0.54) GLSNPC1SMN1; SMN2RAB9ACYP3A4
Hydrochloric Acid SCHEMBL3734745 0.82 DGAT1 (0.53) GLSNPC1SMN1; SMN2RAB9ACYP3A4
SCHEMBL3725732 0.82 NPSR1 (0.42) HTTNPC1SMN1; SMN2RAB9ACYP3A4

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 6 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
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 GLS 737/4885AHR 1032/4885HTT 3634/4885

“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.