SCHEMBL5538438

SCHEMBL5538438

Cc1csc2cc(OC(F)(F)F)cc(Cl)c12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.34
CYP2A6 P11509 1/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
CYP3A4 P08684 2/20 0.31
SCN5A Q14524 2/20 0.31
GMNN O75496 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31
PKM P14618 1/20 0.31
ALOX15 P16050 1/20 0.31
NFKB1 P19838 1/20 0.31
SLC6A2 P23975 1/20 0.31

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
SCHEMBL5546166 0.75 GRM5 (0.36) GRM5SCN9ASCN10A
SCHEMBL12536048 0.72 GPR3 (0.37) CYP3A4SCN5AFFAR4KCNH2CACNA1C
SCHEMBL5542590 0.71 NPC1 (0.42) GRM5CYP2A6NPC1RAB9ACYP3A4
SCHEMBL10980304 0.69 FFAR4 (0.36) CYP3A4SCN5AFFAR4KCNH2CACNA1C
SCHEMBL5546161 0.69 CTSC (0.32) GRM5
SCHEMBL5536537 0.69 CYP2A6 (0.44) CYP2A6SCN9A
SCHEMBL21603366 0.68 FFAR4 (0.36) NPC1RAB9ACYP3A4SCN5AGMNN
SCHEMBL5542145 0.68 CYP2A6 (0.50) GRM5CYP2A6NPC1RAB9ACYP3A4
SCHEMBL5535977 0.68 SCN9A (0.40) GRM5CYP3A4CYP2C9SCN9A
SCHEMBL7928085 0.67 ALDH1A1 (0.39) CYP3A4SCN5ACYP2C9HSD17B10MAPK1

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 GRM5 897/4885CYP2A6 1119/4885PPARD 555/4885

“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.