SCHEMBL5536074

SCHEMBL5536074

Ic1ccccc1CN[CH]c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TAAR1 Q96RJ0 1/20 0.39
IDO1 P14902 2/20 0.38
NPC1 O15118 1/20 0.34
MTOR P42345 1/20 0.34
RAB9A P51151 1/20 0.34
TACR1 P25103 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
THPO P40225 1/20 0.34
FOLH1 Q04609 1/20 0.32
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH7 P40394 1/20 0.31

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
SCHEMBL5541813 0.77 KMT2A (0.46) TAAR1KDM4EMEN1LMNAKMT2A
SCHEMBL5543788 0.77 LMNA (0.47) KDM1ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5539678 0.77 KDM1A (0.42) KDM1ACYP1A2CYP2D6CYP2C19TAAR1
SCHEMBL5542302 0.76 ADH1B (0.52) KDM1ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5546127 0.73 ADH1B (0.44) IDO1RAB9ACYP3A4ADH1BADH1C
SCHEMBL5540586 0.73 PNMT (0.46) CYP1A2CYP2D6CYP2C9CYP2C19TAAR1
SCHEMBL5544342 0.73 NFE2L2 (0.39) KDM1ATAAR1MEN1LMNAKMT2A
SCHEMBL5545752 0.73 ALDH1A1 (0.54) CYP2D6TP53CYP3A4TSHRTHPO
SCHEMBL5544369 0.73 GAA (0.41) TP53KDM4EMEN1KMT2A
SCHEMBL7385255 0.73 ADH1B (0.58) IDO1CYP3A4ADH1BADH1CADH1A

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 4622/4885CYP1A2 659/4885CYP2D6 728/4885

“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.