SCHEMBL2096040

SCHEMBL2096040

Brc1cccc(Cc2ccccc2Br)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.52
IDO1 P14902 4/20 0.50
AGXT P21549 2/20 0.50
MAOB P27338 2/20 0.43
HCAR2 Q8TDS4 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
Hydrochloric Acid SCHEMBL4555995 0.83 IDO1 (0.49) TAAR1IDO1AGXTMAOBSMN1; SMN2
SCHEMBL28158901 0.82 MAOB (0.52) TAAR1IDO1MAOB
SCHEMBL7372584 0.81 PNMT (0.52) TAAR1IDO1AGXT
SCHEMBL29279068 0.81 TAAR1 (0.44) TAAR1IDO1AGXTMAOBHCAR2
SCHEMBL423302 0.81 HTR2A (0.56) TAAR1IDO1SMN1; SMN2
Benzene SCHEMBL28195073 0.81 HTR2A (0.56) TAAR1IDO1SMN1; SMN2
SCHEMBL9200966 0.80 TAAR1 (0.60) TAAR1IDO1AGXTMAOBHCAR2
SCHEMBL30952014 0.79 CYP2C19 (0.44) TAAR1IDO1AGXT
SCHEMBL4853233 0.79 HTR2A (0.54) TAAR1IDO1SMN1; SMN2
SCHEMBL31499406 0.79 CALM1 (0.57) TAAR1IDO1AGXTMAOBHCAR2

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 3 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

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 TAAR1 163/4885IDO1 2665/4885AGXT 2979/4885

“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.