SCHEMBL2097987

SCHEMBL2097987

[O]c1ccc2nc(N3CCC(Cc4ccccc4Cl)CC3)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.43
RXFP1 Q9HBX9 4/20 0.41
HTR3A P46098 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
ATM Q13315 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PDE10A Q9Y233 2/20 0.39
MAPT P10636 1/20 0.39
SMO Q99835 2/20 0.37

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
SCHEMBL2097989 0.87 HRH3 (0.43) HRH3RXFP1HTR3AHRH4ATM
SCHEMBL27666233 0.81 ALDH1A1 (0.40) HRH3HTR3AHRH4ATMALDH1A1
SCHEMBL2090604 0.78 MAPT (0.55) ALDH1A1MAPT
SCHEMBL2094709 0.78 SCD (0.49)
SCHEMBL2093357 0.73 MAPT (0.46) HRH3HTR3AHRH4ATMALDH1A1
SCHEMBL2097029 0.70 HRH3 (0.46) HRH3RXFP1HTR3AHRH4PDE10A
SCHEMBL27644559 0.69 KDM4E (0.52) HRH3HTR3AHRH4ATMALDH1A1
SCHEMBL27645010 0.68 PDE10A (0.64) HRH3HTR3AHRH4ALDH1A1PDE10A
SCHEMBL27644818 0.68 RAB9A (0.52) ALDH1A1PDE10AMAPT
SCHEMBL2090606 0.67 MAPT (0.57) ALDH1A1MAPT

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 HRH3 538/4885RXFP1 494/4885HTR3A 3573/4885

“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.