SCHEMBL5544899

SCHEMBL5544899

Cc1coc(-c2cccc(F)c2)n1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.55
NOTUM Q6P988 2/20 0.51
TP53 P04637 1/20 0.45
MAOB P27338 1/20 0.43
GRM5 P41594 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
FFAR1 O14842 1/20 0.42
GUSB P08236 1/20 0.41
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
TRPM8 Q7Z2W7 2/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
ACHE P22303 1/20 0.39
NISCH Q9Y2I1 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
SCHEMBL12266902 0.82 RAB9A (0.51) NOTUMTP53GRM5
SCHEMBL5536966 0.79 TP53 (0.52) NOTUMTP53MAOBGRM5
SCHEMBL5544892 0.79 NOTUM (0.51) PDE4BNOTUMTP53MAOBGRM5
SCHEMBL30420570 0.79 TP53 (0.52) NOTUMTP53MAOBGRM5
SCHEMBL3506255 0.79 HSD17B2 (0.62) PDE4BGUSBMGAMGAASI
SCHEMBL21876436 0.79 NPC1 (0.52) TP53ADORA2AADORA1GAAHSD17B1
SCHEMBL5540418 0.78 PDE4B (0.50) PDE4BNOTUMTP53GAA
SCHEMBL3951956 0.77 ENPP3 (0.53) PDE4BNOTUM
SCHEMBL21348487 0.77 RXRA (0.40) PDE4BNOTUMHSD17B1HSD17B2
SCHEMBL3506902 0.77 PDE4B (0.57) PDE4BNOTUMTP53GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106866484-B A method of preparing pyrroles, imidazoles, oxazole derivatives 中国科学院大连化学物理研究所 2019-04-09 CN 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
US-4168379-A Pyridin-3-ols BASF AKTIENGESELLSCHAFT (DE) 1979-09-18 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 (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 PDE4B 3738/4885NOTUM 3827/4885TP53 4494/4885

“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.