SCHEMBL5541813

SCHEMBL5541813

Cc1ccccc1CN[CH]c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 4/20 0.46
CHRM2 P08172 1/20 0.46
HTT P42858 2/20 0.42
KDM4E B2RXH2 4/20 0.42
MEN1 O00255 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 3/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL5544369 0.87 GAA (0.41) KMT2AGAAALDH1A1HPGDCHRM2
SCHEMBL5541432 0.82 NPC1 (0.49) KMT2AGAAALDH1A1HTTMEN1
SCHEMBL5545689 0.82 RAB9A (0.49) KMT2AGAAALDH1A1HTTKDM4E
SCHEMBL5538930 0.81 CYP1A2 (0.36) KMT2AGAAALDH1A1HPGDHTT
SCHEMBL4079477 0.78 CHRM2 (0.50) KMT2AGAAALDH1A1HPGDCHRM2
SCHEMBL5543788 0.77 LMNA (0.47) KMT2AALDH1A1HPGDMEN1TAAR1
SCHEMBL5539678 0.77 KDM1A (0.42) KMT2AALDH1A1HPGDMEN1TAAR1
SCHEMBL5536074 0.77 KDM1A (0.42) KMT2AKDM4EMEN1TAAR1LMNA
SCHEMBL5545752 0.77 ALDH1A1 (0.54) KMT2AGAAALDH1A1CHRM2KDM4E
SCHEMBL21311750 0.76 CHRM2 (0.48) KMT2AGAAALDH1A1HPGDCHRM2

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 KMT2A 4267/4885GAA 4165/4885ALDH1A1 355/4885

“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.