SCHEMBL2096963

SCHEMBL2096963

COc1ccc(-n2nnc3ccccc32)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.55
AMY1A P0DUB6 2/20 0.55
GAA P10253 2/20 0.55
SI P14410 2/20 0.55
MGAM2 Q2M2H8 2/20 0.55
F12 P00748 2/20 0.55
HTT P42858 2/20 0.54
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 2/20 0.54
TP53 P04637 1/20 0.54
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52

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
SCHEMBL12204565 0.86 SMN1; SMN2 (0.62) RAB9ASMN1; SMN2NPC1LMNAALDH1A1
SCHEMBL2091203 0.84 FGFR1 (0.56) MGAMAMY1AGAASIMGAM2
SCHEMBL2096961 0.83 SMN1; SMN2 (0.50) MGAMAMY1AGAASIMGAM2
SCHEMBL172700 0.81 ALDH1A1 (0.56) MGAMAMY1AGAASIMGAM2
SCHEMBL19848194 0.81 NPC1 (0.60) HTTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL19848332 0.81 ALDH1A1 (0.56) MGAMAMY1AGAASIMGAM2
SCHEMBL15632082 0.80 SMN1; SMN2 (0.57) MGAMAMY1AGAASIMGAM2
SCHEMBL14040462 0.80 SMN1; SMN2 (0.44) MGAMAMY1AGAASIMGAM2
SCHEMBL165333 0.80 SMN1; SMN2 (0.71) MGAMAMY1AGAASIMGAM2
SCHEMBL28981300 0.78 RAB9A (0.67) RAB9ASMN1; SMN2NPC1LMNAALDH1A1

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 4 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-2102159-B1 BIS-CARBAZOLE MONOMERS AND POLYMERS GEN ELECTRIC (US) 2011-06-22 EP 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 MGAM 3438/4885AMY1A 4653/4885GAA 3982/4885

“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.