SCHEMBL3753864

SCHEMBL3753864

COCc1nnc(NC(=O)c2nnn(Cc3ccc(Cl)c(Cl)c3)c2C)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.48
HSD17B10 Q99714 4/20 0.48
HPGD P15428 4/20 0.48
KDM4E B2RXH2 2/20 0.48
GAA P10253 1/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
TP53 P04637 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 2/20 0.45
BRD4 O60885 1/20 0.45
KMT2A Q03164 3/20 0.44
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
MMP13 P45452 1/20 0.43
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL3746392 0.90 KMT2A (0.46) ALDH1A1HSD17B10HPGDGAANPC1
SCHEMBL17667924 0.84 SMN1; SMN2 (0.42) ALDH1A1HSD17B10HPGDGAATP53
SCHEMBL3654852 0.83 CYP19A1 (0.42) HSD17B10HPGDKDM4EGAATP53
SCHEMBL3755990 0.82 SMN1; SMN2 (0.41) ALDH1A1HSD17B10HPGDKDM4EGAA
SCHEMBL3653768 0.81 SMN1; SMN2 (0.45) ALDH1A1HSD17B10HPGDGAANPC1
SCHEMBL3651954 0.81 POLB (0.41) ALDH1A1HSD17B10HPGDKDM4EGAA
SCHEMBL17667931 0.80 SMN1; SMN2 (0.42) ALDH1A1HSD17B10HPGDKDM4EGAA
SCHEMBL3751671 0.80 ALDH1A1 (0.44) ALDH1A1HSD17B10HPGDKDM4EGAA
SCHEMBL3751298 0.79 KDM4E (0.41) ALDH1A1HSD17B10HPGDKDM4EGAA
SCHEMBL3653875 0.79 SMN1; SMN2 (0.41) ALDH1A1HSD17B10HPGDKDM4EGAA

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 15 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
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-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-8207204-B2 Triazole derivatives as SCD inhibitors GLAXOSMITHKLINE LLC (US) 2012-06-26 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
US-20100297097-A1 COMPOUNDS GLAXOSMITHKLINE LLC 2010-11-25 US disclosed
US-20100297097-A1 COMPOUNDS GLAXOSMITHKLINE LLC 2010-11-25 US disclosed
WO-2009060054-A1 TRIAZOLE DERIVATIVES AS SCD INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-14 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 (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 ALDH1A1 2485/4885HSD17B10 123/4885HPGD 3068/4885
US-20120225878-A1 COMPOUNDS CYP11B2, CYP11B1, SCD ALDH1A1 652/4885HSD17B10 85/4885HPGD 650/4885

“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.