SCHEMBL5545208

SCHEMBL5545208

Clc1cccc(Cl)c1CN[CH]c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GLA P06280 2/20 0.42
AKR1B1 P15121 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
DPP4 P27487 1/20 0.37
LMNA P02545 3/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TSHR P16473 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
SCHEMBL5544059 0.85 ALDH1A1 (0.38) LMNAMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL5540586 0.82 PNMT (0.46) NPSR1GLATAAR1CYP1A2CYP2D6
SCHEMBL5540501 0.78 NFE2L2 (0.42) HTTNPSR1GLAATMTDP1
SCHEMBL5538930 0.78 CYP1A2 (0.36) HTTCYP1A2CYP2D6CYP2C19LMNA
SCHEMBL5535839 0.76 NFE2L2 (0.34) ATMALDH1A1TSHR
SCHEMBL5539505 0.74 LMNA (0.50) ATMCYP1A2CYP2D6CYP2C19LMNA
SCHEMBL5545076 0.74 ALDH1A1 (0.34) NPSR1GLACYP1A2CYP2D6CYP2C19
SCHEMBL5544373 0.74 PLA2G1B (0.47) TDP1TAAR1CYP1A2CYP2D6CYP2C19
SCHEMBL5539358 0.74 CHRM2 (0.49) HTTNPSR1TAAR1LMNAMAPT
SCHEMBL5542256 0.74 HIF1A (0.46) HTTATMCYP1A2MAPTALDH1A1

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 HTT 4644/4885NPSR1 747/4885GLA 3631/4885

“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.