SCHEMBL2094039

SCHEMBL2094039

[CH2]CN1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.69
SIGMAR1 Q99720 3/20 0.61
HTR1A P08908 2/20 0.58
HTR7 P34969 2/20 0.58
MEN1 O00255 1/20 0.58
TSHR P16473 1/20 0.58
KMT2A Q03164 1/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
MAPT P10636 1/20 0.58
ALOX12 P18054 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HTR3E A5X5Y0 1/20 0.57
HTR3B O95264 1/20 0.57
TP53 P04637 1/20 0.57
CYP1A2 P05177 1/20 0.57
ADRB1 P08588 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
THRB P10828 1/20 0.57

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
SCHEMBL1650839 0.87 KCNH2 (0.74) KCNH2SIGMAR1HTR1AHTR7SLC6A4
SCHEMBL6714846 0.85 ALDH1A1 (0.75) KCNH2SIGMAR1HTR1AHTR7ALDH1A1
SCHEMBL11100857 0.85 ALDH1A1 (0.75) KCNH2SIGMAR1HTR1AHTR7ALDH1A1
SCHEMBL2089938 0.84 KCNH2 (0.80) KCNH2SIGMAR1HTR1AHTR7HTR2A
SCHEMBL10294634 0.83 KCNH2 (0.69) KCNH2SIGMAR1
SCHEMBL30767216 0.83 KCNH2 (0.90) KCNH2SIGMAR1HTR1AHTR7HTR2A
SCHEMBL8578267 0.82 KCNH2 (0.63) KCNH2SIGMAR1HTR1AHTR7MEN1
SCHEMBL4525555 0.81 KCNH2 (1.00) KCNH2SIGMAR1HTR1AHTR7HTR2A
Hydrochloric Acid SCHEMBL7658247 0.81 KCNH2 (0.88) KCNH2SIGMAR1HTR1AHTR7HTR2A
SCHEMBL1254408 0.81 KCNH2 (0.77) KCNH2SIGMAR1HTR1AHTR7

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO 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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 KCNH2 3121/4885SIGMAR1 161/4885HTR1A 3561/4885

“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.