SCHEMBL5543053

SCHEMBL5543053

[CH2]c1ccc2oc(C)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
RAB9A P51151 8/20 0.46
NPC1 O15118 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
STAT1 P42224 1/20 0.46
KDM4E B2RXH2 5/20 0.44
MAPT P10636 4/20 0.44
POLB P06746 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 3/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
TP53 P04637 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39

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
SCHEMBL5541669 0.84 ALDH1A1 (0.47) GAAL3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL13528421 0.79 L3MBTL1 (0.82) GAAL3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL903255 0.79 NPC1 (0.61) GAAL3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL29442076 0.79 NPC1 (0.61) GAAL3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL9105844 0.79 NPC1 (0.61) GAAL3MBTL1RAB9ANPC1SMN1; SMN2
Iodide SCHEMBL8417295 0.78 NPC1 (0.59) GAAL3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL1133163 0.76 L3MBTL1 (0.56) GAAL3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL1550272 0.76 RAB9A (0.59) GAAL3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL353166 0.76 LMNA (0.61) GAAL3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL31507497 0.76 LMNA (0.61) GAAL3MBTL1RAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190225611-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN X-RX, INC. 2019-07-25 US disclosed
US-10233182-B2 Substituted spirocyclic inhibitors of autotaxin X-RX, INC. (US) 2019-03-19 US disclosed
US-20180282332-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN X-RX, INC. 2018-10-04 US disclosed
US-10011601-B2 Substituted spirocyclic inhibitors of autotaxin X-RX, INC. (US) 2018-07-03 US disclosed
US-20170166568-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN X-RX, INC. (US) 2017-06-15 US disclosed
EP-3125895-A1 SUBSTITUTED SPIROCYDIC INHIBITORS OF AUTOTAXIN X-RX, Inc. (US) 2017-02-08 EP disclosed
WO-2015154023-A1 SUBSTITUTED SPIROCYDIC INHIBITORS OF AUTOTAXIN X-RX DISCOVERY, INC. (US) 2015-10-08 WO disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 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 (6 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-20170166568-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN ENPP2, SLC10A1, CXCR3 GAA 1645/4885L3MBTL1 3779/4885RAB9A 2131/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 GAA 4165/4885L3MBTL1 1931/4885RAB9A 2824/4885
US-10233182-B2 Substituted spirocyclic inhibitors of autotaxin ENPP2, CXCR3, SLC10A1 GAA 1417/4885L3MBTL1 3971/4885RAB9A 2122/4885
US-20180282332-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN ENPP2, CXCR3, SLC10A1 GAA 1417/4885L3MBTL1 3971/4885RAB9A 2122/4885
US-20190225611-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN ENPP2, SLC10A1, CXCR3 GAA 1645/4885L3MBTL1 3779/4885RAB9A 2131/4885
US-10011601-B2 Substituted spirocyclic inhibitors of autotaxin ENPP2, SLC10A1, CXCR3 GAA 1645/4885L3MBTL1 3779/4885RAB9A 2131/4885

“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.