SCHEMBL5536101

SCHEMBL5536101

Cc1nc(-c2cccc(Cl)c2)oc1C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
TP53 P04637 2/20 0.53
RAB9A P51151 2/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
IKBKB O14920 1/20 0.52
SLC9A1 P19634 1/20 0.51
NOTUM Q6P988 3/20 0.50
MAOB P27338 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPT P10636 2/20 0.49
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45

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
SCHEMBL25180859 0.83 MAPT (0.54) NPC1TP53RAB9ATSHRNFKB1
SCHEMBL5536092 0.83 NPC1 (0.50) NPC1TP53RAB9ATSHRNFKB1
SCHEMBL5540607 0.83 NPC1 (0.50) NPC1TP53RAB9ATSHRNFKB1
SCHEMBL1436230 0.81 MAPT (0.56) NPC1TP53TSHRSMN1; SMN2MAPT
SCHEMBL9833185 0.80 IKBKB (0.50) NPC1TP53RAB9ATSHRNFKB1
SCHEMBL4836903 0.80 MAPT (0.55) NPC1TP53TSHRSMN1; SMN2MAPT
SCHEMBL5539637 0.79 MAOB (0.50) NPC1TP53RAB9ASLC9A1NOTUM
SCHEMBL3590075 0.79 HDAC6 (0.47) RAB9AMAOBMAPTCYP1A2
SCHEMBL14339565 0.79 MAPT (0.54) NPC1TP53TSHRSMN1; SMN2MAPT
SCHEMBL5534902 0.78 KDM4E (0.59) NPC1TP53RAB9ATSHRNFKB1

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
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 (1 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 NPC1 2404/4885TP53 4494/4885RAB9A 2824/4885

“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.