SCHEMBL3733732

SCHEMBL3733732

O=C(Nc1nnc(Cc2ccccc2-c2ccccc2Cl)s1)c1ccc2c(c1)CCNC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.47
CYP3A4 P08684 2/20 0.43
GLS O94925 2/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 4/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
CASP6 P55212 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GLA P06280 1/20 0.41
MAPK1 P28482 1/20 0.41
NOD2 Q9HC29 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
GAA P10253 1/20 0.40
CYP2C9 P11712 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 SCHEMBL3729667 0.99 DGAT1 (0.46) DGAT1CYP3A4GLSMEN1KMT2A
SCHEMBL3732002 0.93 DGAT1 (0.54) DGAT1CYP3A4GLSMEN1KMT2A
Hydrochloric Acid SCHEMBL3734745 0.92 DGAT1 (0.53) DGAT1CYP3A4GLSMEN1KMT2A
SCHEMBL3736852 0.87 GLS (0.49) DGAT1CYP3A4GLSMEN1KMT2A
Hydrochloric Acid SCHEMBL3729681 0.86 GLS (0.48) DGAT1CYP3A4GLSMEN1KMT2A
SCHEMBL3727601 0.86 MEN1 (0.44) DGAT1GLSMEN1KMT2AMAPT
SCHEMBL3731619 0.86 DGAT1 (0.54) DGAT1GLSMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL3726314 0.85 MEN1 (0.43) DGAT1GLSMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL3733892 0.85 DGAT1 (0.53) DGAT1GLSMEN1KMT2AMAPT
SCHEMBL3729161 0.85 KMT2A (0.47) DGAT1CYP3A4MEN1KMT2AMAPT

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 DGAT1 60/4885CYP3A4 264/4885GLS 737/4885

“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.