SCHEMBL5543706

SCHEMBL5543706

Clc1cc(Cl)cc(CCCNc2cc[c]cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.39
HTR2A P28223 1/20 0.39
MCHR1 Q99705 1/20 0.39
CNR1 P21554 1/20 0.38
BCL2L1 Q07817 1/20 0.36
MCL1 Q07820 1/20 0.36
RHOC P08134 1/20 0.35
RHOA P61586 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 1/20 0.34
KDR P35968 3/20 0.33
PIK3CD O00329 2/20 0.33
PIK3R1 P27986 1/20 0.33
IDO1 P14902 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GRIN1 Q05586 1/20 0.32

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
SCHEMBL5539661 0.90 CNR1 (0.43) CNR1RHOCRHOAALDH1A1MAPT
SCHEMBL5541923 0.86 TAAR1 (0.49) CNR1ALDH1A1KDRCYP1A2HPGD
SCHEMBL5537278 0.85 CHRM1 (0.52) CHRM1HTR2AMCHR1CNR1RHOC
SCHEMBL5543628 0.81 CHRM1 (0.52) CHRM1HTR2AMCHR1CNR1RHOC
SCHEMBL5545128 0.81 NOS3 (0.36) BCL2L1MCL1ALDH1A1MAPTPIK3CD
SCHEMBL5536284 0.81 SIGMAR1 (0.47) CYP1A2CYP2C9CYP2C19GRIN1KCNH2
SCHEMBL5548020 0.79 CYP1A2 (0.39) ALDH1A1MAPTIDO1CYP1A2CYP2C9
SCHEMBL5542673 0.79 CHRM1 (0.35) CHRM1HTR2AMCHR1ALDH1A1MAPT
SCHEMBL4827710 0.77 L3MBTL1 (0.55) ALDH1A1MAPTPIK3CDHPGDL3MBTL1
SCHEMBL5540569 0.76 CNR1 (0.43) CHRM1HTR2AMCHR1CNR1ALDH1A1

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 CHRM1 463/4885HTR2A 4120/4885MCHR1 2179/4885

“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.