SCHEMBL5534504

SCHEMBL5534504

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.56
TDO2 P48775 1/20 0.51
APP P05067 2/20 0.49
EGFR P00533 1/20 0.47
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
MAOB P27338 1/20 0.46
RPS6KB1 P23443 2/20 0.46
AURKB Q96GD4 2/20 0.46
HTR2A P28223 2/20 0.46
HTR2B P41595 2/20 0.46
HTR2C P28335 1/20 0.46
AURKA O14965 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MITF O75030 1/20 0.46
CHEK1 O14757 1/20 0.45
DAPK3 O43293 1/20 0.45

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
SCHEMBL5542641 0.83 EPHX2 (0.47) RXFP1APPEGFRFFAR1MAOB
Hydrochloric Acid SCHEMBL27753364 0.81 RXFP1 (0.55) RXFP1TDO2APPEGFRFFAR1
SCHEMBL5536813 0.80 APP (0.46) APPFFAR1MAOBRPS6KB1AURKB
SCHEMBL5543549 0.78 KDM5A (0.53) ROCK2ROCK1
SCHEMBL4242744 0.78 FFAR1 (0.66) RXFP1APPEGFRFFAR1FFAR4
SCHEMBL4351131 0.77 RXFP1 (0.54) RXFP1TDO2APPEGFRFFAR1
SCHEMBL5541898 0.76 IDO1 (0.40) IDO1
SCHEMBL5545641 0.76 BRD4 (0.46) APPMAOBHTR2ACLK4TAAR1
SCHEMBL5541606 0.76 PARP1 (0.50) TDO2APPEGFRFFAR1FFAR4
SCHEMBL5539354 0.76 CHRM2 (0.51) APPRPS6KB1HDAC3HDAC1HDAC2

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 RXFP1 489/4885TDO2 1351/4885APP 4262/4885

“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.