SCHEMBL206917

SCHEMBL206917

CCOC(=O)c1ccc2nc(Nc3nc(-c4cccnc4)cs3)sc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.61
RAB9A P51151 12/20 0.61
SMN1; SMN2 Q16637 7/20 0.61
MAPT P10636 4/20 0.61
ALDH1A1 P00352 3/20 0.61
HPGD P15428 2/20 0.61
GAA P10253 2/20 0.61
ALPL P05186 1/20 0.61
STAT1 P42224 1/20 0.56
KDM4E B2RXH2 4/20 0.55
TDP1 Q9NUW8 2/20 0.55
LMNA P02545 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TP53 P04637 2/20 0.54
HSD17B10 Q99714 2/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51

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
SCHEMBL2706199 0.86 SMN1; SMN2 (0.57) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL4579101 0.83 RAB9A (0.71) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL207484 0.82 GAA (0.65) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL206828 0.79 RAB9A (0.51) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL206426 0.78 SLC2A1 (0.66) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL717068 0.76 ABL1 (0.61) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL208387 0.75 RAB9A (0.58) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL29858314 0.74 CDC7 (0.54) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL26962761 0.74 CDC7 (0.54) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL18585932 0.74 NPC1 (0.77) NPC1RAB9ASMN1; SMN2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 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-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE PIGS, CPT1A, SLC10A1 NPC1 62/4885RAB9A 1357/4885SMN1; SMN2 3252/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 NPC1 62/4885RAB9A 1357/4885SMN1; SMN2 3252/4885

“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.