SCHEMBL5543549

SCHEMBL5543549

[CH2]c1ccccc1NCc1cccc(OC(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.53
KDM4C Q9H3R0 1/20 0.53
KDM5B Q9UGL1 1/20 0.53
GRM2 Q14416 1/20 0.52
MAPK14 Q16539 1/20 0.48
KCNN3 Q9UGI6 1/20 0.46
ABCB1 P08183 2/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
FLT1 P17948 1/20 0.44
KDR P35968 1/20 0.44
P2RX7 Q99572 1/20 0.44
CARM1 Q86X55 2/20 0.43
PRMT6 Q96LA8 2/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
NR3C1 P04150 1/20 0.42
CETP P11597 2/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40

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
SCHEMBL5541454 0.89 ABCB1 (0.43) KDM5AKDM4CKDM5BGRM2MAPK14
SCHEMBL5536417 0.84 KDM1A (0.46) KCNN3FLT1KDRP2RX7MEN1
SCHEMBL5537824 0.81 ABCB1 (0.66) GRM2ABCB1ABCG2CHRM2MEN1
SCHEMBL23683233 0.79 USP28 (0.57) KDM5AKDM4CKDM5BGRM2MAPK14
SCHEMBL5541397 0.78 MAPT (0.42) FLT1KDRMEN1KMT2A
SCHEMBL5534504 0.78 RXFP1 (0.56) ROCK2ROCK1
SCHEMBL5536813 0.76 APP (0.46) KDM5AKDM4CKDM5BMAPK14FLT1
SCHEMBL10210658 0.74 MAPK14 (0.52) KDM5AKDM4CKDM5BGRM2MAPK14
SCHEMBL8348536 0.74 PRMT6 (0.59) KDM5AKDM4CKDM5BGRM2MAPK14
SCHEMBL8221736 0.74 MAPK14 (0.52) KDM5AKDM4CKDM5BGRM2MAPK14

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 KDM5A 4851/4885KDM4C 4636/4885KDM5B 4754/4885

“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.