SCHEMBL5537895

SCHEMBL5537895

[CH2]c1ccccc1NCc1ccc(Br)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.46
AKR1B1 P15121 3/20 0.40
NPC1 O15118 3/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
PDPK1 O15530 1/20 0.36
MEN1 O00255 1/20 0.36
APAF1 O14727 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALOX12 P18054 2/20 0.35
TP53 P04637 1/20 0.35
PYCR1 P32322 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL5542378 0.84 MAOB (0.42) L3MBTL1GAAMAOB
SCHEMBL5543785 0.80 L3MBTL1 (0.50) LMNAALDH1A1SMN1; SMN2L3MBTL1MEN1
SCHEMBL9729006 0.78 KDM1A (0.54) KDM1AAKR1B1NPC1LMNAALDH1A1
SCHEMBL5544675 0.74 MAPT (0.44) NPC1ALDH1A1RAB9AL3MBTL1MEN1
SCHEMBL5539677 0.74 CA12 (0.44) KDM1AALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL5541606 0.73 PARP1 (0.50) KDM1AALDH1A1SMN1; SMN2HPGDCYP1A2
SCHEMBL5544340 0.73 L3MBTL1 (0.46) LMNAALDH1A1L3MBTL1PDPK1MEN1
SCHEMBL9681422 0.72 HDAC1 (0.40) KDM1AAKR1B1ALDH1A1
SCHEMBL5534771 0.71 NTRK1 (0.38) LMNAALDH1A1SMN1; SMN2L3MBTL1MEN1
SCHEMBL5540496 0.70 HTT (0.39) NPC1LMNAALDH1A1RAB9ASMN1; SMN2

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 495/4885NPC1 2404/4885

“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.