SCHEMBL5537898

SCHEMBL5537898

Fc1cc(Br)ccc1CN[CH]c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.50
AKR1B1 P15121 6/20 0.43
PDPK1 O15530 1/20 0.43
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 4/20 0.37
LMNA P02545 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
AKR1A1 P14550 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
PYCR1 P32322 1/20 0.36
MAPT P10636 1/20 0.36
CHRM5 P08912 1/20 0.36

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
SCHEMBL5542383 0.84 ACHE (0.46) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5543788 0.80 LMNA (0.47) KDM1AMEN1CYP1A2CYP2C9KMT2A
SCHEMBL5546205 0.77 KDM1A (0.44) KDM1AAKR1B1PDPK1CYP2C9LMNA
SCHEMBL9729006 0.76 KDM1A (0.54) KDM1AAKR1B1PDPK1MEN1CYP1A2
SCHEMBL5544677 0.73 L3MBTL1 (0.45) KDM1ALMNAALDH1A1HPGDPYCR1
SCHEMBL5539678 0.73 KDM1A (0.42) KDM1AMEN1CYP1A2KMT2AHSD17B10
SCHEMBL5544342 0.72 NFE2L2 (0.39) KDM1AMEN1KMT2ALMNAHPGD
SCHEMBL5541612 0.72 KDM1A (0.47) KDM1ACYP1A2ALDH1A1MAPT
SCHEMBL18839297 0.71 KDM1A (0.48) KDM1AAKR1B1CYP2C9AKR1A1PYCR1
SCHEMBL11158402 0.71 KDM1A (0.48) KDM1AAKR1B1AKR1A1PYCR1CHRM5

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 KDM1A 4622/4885AKR1B1 495/4885PDPK1 3054/4885

“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.