SCHEMBL2095208

SCHEMBL2095208

Brc1ccc(N2CCC[N]CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.44
▸ USP2 O75604 2/20 0.44
▸ CHKA P35790 1/20 0.41
▸ AKR1C3 P42330 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL3183333 0.92 AKR1C3 (0.44) KMT2AUSP2CHKAAKR1C3ALDH1A1
SCHEMBL23705658 0.81 KMT2A (0.53) KMT2AUSP2CHKAAKR1C3ALDH1A1
SCHEMBL382079 0.81 KMT2A (0.58) KMT2AUSP2CHKAAKR1C3ALDH1A1
SCHEMBL2098644 0.81 MAPT (0.51) KMT2ACHKAALDH1A1MAPTALOX15
SCHEMBL2093938 0.81 HTR3E (0.50) KMT2ACHKAAKR1C3ALDH1A1MAPT
SCHEMBL2088597 0.81 LTA4H (0.42) KMT2AUSP2CHKAAKR1C3ALDH1A1
SCHEMBL2090278 0.81 ADRB1 (0.50) KMT2AUSP2CHKAAKR1C3ALDH1A1
SCHEMBL1365883 0.80 LMNA (0.47) KMT2ACHKAAKR1C3ALDH1A1L3MBTL1
SCHEMBL539280 0.79 ALDH1A1 (0.58) KMT2AUSP2CHKAAKR1C3ALDH1A1
SCHEMBL2703274 0.79 ALDH1A1 (0.58) KMT2AUSP2CHKAAKR1C3ALDH1A1

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 KMT2A 3324/4885USP2 1756/4885CHKA 3687/4885

“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.

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