SCHEMBL2091102

SCHEMBL2091102

[O]c1ccc2c(c1)CCCN2c1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.55
KDR P35968 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 1/20 0.41
NOTUM Q6P988 1/20 0.41
CYP11B1 P15538 1/20 0.39
RORC P51449 1/20 0.38
NOX4 Q9NPH5 1/20 0.38
HSD11B1 P28845 1/20 0.38
OPRM1 P35372 4/20 0.38
OPRK1 P41145 4/20 0.38
OPRD1 P41143 3/20 0.38
SRD5A1 P18405 1/20 0.37

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
SCHEMBL2092503 0.83 P2RY1 (0.46) SCN9AKDRHDAC6MAPTTP53
SCHEMBL2095073 0.81 KCNQ2 (0.41) KDRHDAC6TP53OPRM1OPRK1
SCHEMBL2090178 0.77 HDAC1 (0.52) HDAC6NPC1MAPTMAPK1RAB9A
SCHEMBL13574302 0.77 SCN9A (0.55) SCN9AKDRHDAC6NPC1MAPT
SCHEMBL1396617 0.77 SCN9A (0.55) SCN9AKDRHDAC6NPC1MAPT
SCHEMBL29505029 0.76 SCN9A (0.48) SCN9AKDRHDAC6NPC1MAPT
SCHEMBL22719567 0.76 SCN9A (0.48) SCN9AKDRHDAC6NPC1MAPT
SCHEMBL31413339 0.75 SCN9A (0.47) SCN9AHDAC6NPC1MAPTMAPK1
SCHEMBL16862179 0.75 SCN9A (0.47) SCN9AHDAC6NPC1MAPTMAPK1
SCHEMBL699695 0.75 SCN9A (0.45) SCN9AKDRHDAC6NPC1MAPT

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
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO 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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 SCN9A 3557/4885KDR 2859/4885HDAC6 901/4885

“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.