SCHEMBL5534775

SCHEMBL5534775

Fc1cc(CN[CH]c2ccccc2)cc(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.40
ADH1B P00325 1/20 0.37
ADH1C P00326 1/20 0.37
ADH1A P07327 1/20 0.37
ADH7 P40394 1/20 0.37
NTRK1 P04629 1/20 0.34
NFE2L2 Q16236 4/20 0.32
KDM1A O60341 2/20 0.32
TUBB1 Q9H4B7 1/20 0.31
TSHR P16473 1/20 0.31
AURKA O14965 1/20 0.31
RPS6KB1 P23443 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
ERAP1 Q9NZ08 1/20 0.30

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
SCHEMBL5535940 0.84 KDM1A (0.47) ADH1BADH1CADH1AADH7NTRK1
SCHEMBL5540801 0.84 CCNE2 (0.38) EGFRADH1BADH1CADH1AADH7
SCHEMBL5545050 0.80 MAPT (0.38) ADH1BADH1CADH1AADH7KDM1A
SCHEMBL7385255 0.78 ADH1B (0.58) ADH1BADH1CADH1AADH7MAOA
SCHEMBL5534736 0.78 PLA2G1B (0.49) ADH1BADH1CADH1AADH7NFE2L2
SCHEMBL5536817 0.77 NFE2L2 (0.47) NFE2L2KDM1AMAOAMAOB
SCHEMBL5539432 0.77 MMP13 (0.42) ADH1BADH1CADH1AADH7KDM1A
SCHEMBL5544036 0.76 TACR1 (0.39) EGFRADH1BADH1CADH1AADH7
SCHEMBL5535117 0.76 KDM1A (0.44) EGFRADH1BADH1CADH1AADH7
SCHEMBL5535839 0.76 NFE2L2 (0.34) ADH1BADH1CADH1AADH7NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1498411-B9 DIKETOHYDRAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2013-12-04 EP claimed
EP-1498411-B1 DIKETOHYDRAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2013-01-16 EP claimed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 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 EGFR 3049/4885ADH1B 281/4885ADH1C 285/4885

“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.