SCHEMBL2095997

SCHEMBL2095997

Clc1ccccc1CN1CCC[N]CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.58
CYP2A13 Q16696 2/20 0.57
ALDH1A1 P00352 8/20 0.55
KDM4E B2RXH2 5/20 0.55
PLA2G1B P04054 1/20 0.55
RAB9A P51151 1/20 0.55
ATG4B Q9Y4P1 1/20 0.55
HTT P42858 1/20 0.54
POLB P06746 1/20 0.53
CXCR4 P61073 3/20 0.53
MAPT P10636 3/20 0.51
GAA P10253 1/20 0.51
ATM Q13315 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL1578951 0.93 SIGMAR1 (0.66) SIGMAR1CYP2A13ALDH1A1KDM4EPLA2G1B
SCHEMBL2092567 0.88 KDM4E (0.71) SIGMAR1CYP2A13ALDH1A1KDM4EPLA2G1B
SCHEMBL23851311 0.84 SIGMAR1 (0.72) SIGMAR1CYP2A13ALDH1A1KDM4EPLA2G1B
SCHEMBL9417737 0.84 SIGMAR1 (0.72) SIGMAR1CYP2A13ALDH1A1KDM4EPLA2G1B
SCHEMBL5738303 0.83 ALDH1A1 (0.73) SIGMAR1CYP2A13ALDH1A1KDM4EPLA2G1B
SCHEMBL3210628 0.83 ALDH1A1 (0.73) SIGMAR1CYP2A13ALDH1A1KDM4EPLA2G1B
Hydrochloric Acid SCHEMBL11467058 0.83 SIGMAR1 (0.70) SIGMAR1CYP2A13ALDH1A1KDM4EPLA2G1B
SCHEMBL2095163 0.81 KDM4E (0.61) SIGMAR1CYP2A13ALDH1A1KDM4EHTT
Hydrochloric Acid SCHEMBL16825204 0.81 ALDH1A1 (0.71) SIGMAR1CYP2A13ALDH1A1KDM4EPLA2G1B
SCHEMBL2096803 0.81 ALDH1A1 (0.70) CYP2A13ALDH1A1KDM4EHTTPOLB

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
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
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
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 SIGMAR1 161/4885CYP2A13 1735/4885ALDH1A1 412/4885

“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.