SCHEMBL3753831

SCHEMBL3753831

Cc1c(C(=O)Nc2nc(CC(=O)O)cs2)nnn1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCD O00767 4/20 0.47
ALDH1A1 P00352 1/20 0.45
PTGDR2 Q9Y5Y4 5/20 0.42
CPT1A P50416 3/20 0.41
CPT1B Q92523 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KCNH2 Q12809 1/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KLKB1 P03952 1/20 0.40
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
PDE5A O76074 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
SCHEMBL10098391 0.91 MEN1 (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19GAA
SCHEMBL3652209 0.89 SCD (0.47) SCDALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL3652887 0.84 PTGDR2 (0.43) PTGDR2GAAKLKB1
SCHEMBL3652367 0.82 PTGDR2 (0.56) PTGDR2MAPT
SCHEMBL3751671 0.81 ALDH1A1 (0.44) ALDH1A1GAAMAPT
SCHEMBL3653768 0.80 SMN1; SMN2 (0.45) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL3657044 0.80 SMN1; SMN2 (0.45) ALDH1A1PTGDR2GAAMAPTMEN1
SCHEMBL17667924 0.79 SMN1; SMN2 (0.42) ALDH1A1PTGDR2GAAMAPTKMT2A
SCHEMBL3656247 0.79 PTGDR2 (0.51) ALDH1A1PTGDR2KCNH2MAPTMEN1
SCHEMBL17667930 0.78 SMN1; SMN2 (0.42) ALDH1A1PTGDR2GAAMAPTKLKB1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2207774-B1 TRIAZOLE DERIVATIVES AS SCD INHIBITORS GLAXOSMITHKLINE LLC (US) 2016-04-13 EP claimed
US-20120225878-A1 COMPOUNDS BOUILLOT ANNE MARIE JEANNE (FR) 2012-09-06 US claimed
US-8207204-B2 Triazole derivatives as SCD inhibitors GLAXOSMITHKLINE LLC (US) 2012-06-26 US claimed
US-20100297097-A1 COMPOUNDS GLAXOSMITHKLINE LLC 2010-11-25 US claimed
EP-2207774-B1 TRIAZOLE DERIVATIVES AS SCD INHIBITORS GLAXOSMITHKLINE LLC (US) 2016-04-13 EP disclosed
US-20120225878-A1 COMPOUNDS BOUILLOT ANNE MARIE JEANNE (FR) 2012-09-06 US disclosed
US-8207204-B2 Triazole derivatives as SCD inhibitors GLAXOSMITHKLINE LLC (US) 2012-06-26 US disclosed
US-20100297097-A1 COMPOUNDS GLAXOSMITHKLINE LLC 2010-11-25 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-20100297097-A1 COMPOUNDS APP, BACE1, SCD SCD 3/4885ALDH1A1 2485/4885PTGDR2 3260/4885
US-20120225878-A1 COMPOUNDS CYP11B2, CYP11B1, SCD SCD 3/4885ALDH1A1 652/4885PTGDR2 1433/4885

“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.