SCHEMBL2090604

SCHEMBL2090604

[O]c1ccc2nc(N3CCC(Cc4ccccc4Cl)CC3)sc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
POLB P06746 1/20 0.55
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 7/20 0.46
NPC1 O15118 7/20 0.46
RAB9A P51151 7/20 0.46
TP53 P04637 5/20 0.45
PPARG P37231 4/20 0.43
PPARD Q03181 4/20 0.43
PPARA Q07869 3/20 0.43
ACLY P53396 1/20 0.43
MITF O75030 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43

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
SCHEMBL2090606 0.87 MAPT (0.57) MAPTPOLBALDH1A1HPGDKDM4E
SCHEMBL27644818 0.87 RAB9A (0.52) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL5013351 0.83 RAB9A (0.56) MAPTPOLBALDH1A1HPGDKDM4E
SCHEMBL2095309 0.79 SCD (0.55) MAPTPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL2097987 0.78 HRH3 (0.43) MAPTALDH1A1
SCHEMBL2090639 0.75 NPC1 (0.52) MAPTALDH1A1GAASMN1; SMN2NPC1
SCHEMBL2092152 0.75 ACLY (0.46) MAPTPOLBGAASMN1; SMN2NPC1
SCHEMBL2095037 0.73 SMN1; SMN2 (0.48) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL2095454 0.72 ACLY (0.45) MAPTPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL10219814 0.71 NPC1 (0.67) MAPTPOLBSMN1; SMN2NPC1RAB9A

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 MAPT 4299/4885POLB 757/4885ALDH1A1 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.