SCHEMBL2224049

SCHEMBL2224049

CN(C)C(=O)COc1c[c]ccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
PDK2 Q15119 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
RECQL P46063 1/20 0.41
KEAP1 Q14145 5/20 0.41
NFE2L2 Q16236 5/20 0.41
MLYCD O95822 2/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.38

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
SCHEMBL14694133 0.86 RAB9A (0.52) SMN1; SMN2RAB9ANPC1KDM4EMLYCD
SCHEMBL6292262 0.84 NPC1 (0.56) SMN1; SMN2RAB9ANPC1KDM4EALDH1A1
SCHEMBL3154702 0.84 PDK2 (0.45) SMN1; SMN2NPC1PDK2HSD17B10POLB
SCHEMBL6537122 0.84 SMN1; SMN2 (0.40) SMN1; SMN2RAB9ANPC1ALDH1A1RECQL
SCHEMBL3170270 0.83 PDK2 (0.46) SMN1; SMN2RAB9ANPC1PDK2HSD17B10
SCHEMBL3174049 0.81 ALOX15 (0.41) SMN1; SMN2RAB9ANPC1KDM4EALDH1A1
SCHEMBL4578389 0.80 USP2 (0.42) SMN1; SMN2RAB9ANPC1HSD17B10POLB
SCHEMBL3160145 0.80 SMN1; SMN2 (0.60) SMN1; SMN2RAB9ANPC1PDK2KDM4E
SCHEMBL1419247 0.80 ALOX15 (0.62) SMN1; SMN2ALDH1A1GLAPOLBMAPK1
SCHEMBL2440514 0.79 GAA (0.51) SMN1; SMN2KDM4EALDH1A1HPGDHSD17B10

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
US-20120329784-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC 2012-12-27 US disclosed
EP-2523559-A1 COMPOUNDS AND METHODS GlaxoSmithKline LLC (US) 2012-11-21 EP disclosed
WO-2011088027-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-07-21 WO disclosed
WO-2011088031-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-07-21 WO disclosed
EP-1630165-B1 [1,2,4]TRIAZOLO[1,5-a]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF NIPPON KAYAKU KK (JP) 2010-03-31 EP disclosed
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
EP-1630165-A1 [1,2,4 ]TRIAZOLO [1,5-A]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2006-03-01 EP 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-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof HLA-C, TPMT, TAP1 SMN1; SMN2 3178/4885RAB9A 1475/4885NPC1 1668/4885
US-20120329784-A1 COMPOUNDS AND METHODS RB1, DHFR, NQO1 SMN1; SMN2 2641/4885RAB9A 651/4885NPC1 383/4885

“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.