Sugi Predict

Sugi Predict / Compounds / SCHEMBL2092852

SCHEMBL2092852

SCHEMBL2092852

CCCCCCc1nc2cc([O])ccc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 3/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TLR8 Q9NR97 1/20 0.39
▸ TLR7 Q9NYK1 1/20 0.39
▸ LOXL2 Q9Y4K0 1/20 0.38
▸ HTR1A P08908 4/20 0.37
▸ DRD2 P14416 4/20 0.37
▸ HTR7 P34969 4/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ RIPK1 Q13546 1/20 0.37
▸ HTR2A P28223 3/20 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
SCHEMBL2094256 0.98 HDAC6 (0.43) HDAC6NPC1GAAMAPK1RAB9A
SCHEMBL2088679 0.88 GAA (0.46) HDAC6NPC1GAAMAPK1RAB9A
SCHEMBL19370451 0.82 NPC1 (0.60) HDAC6NPC1GAAMAPK1RAB9A
SCHEMBL2093548 0.81 NPC1 (0.63) HDAC6NPC1GAAMAPK1RAB9A
SCHEMBL26746667 0.80 NPC1 (0.52) HDAC6NPC1GAAMAPK1RAB9A
SCHEMBL11596488 0.78 ALOX15 (0.59) RAB9ASMN1; SMN2ALOX15HTTKDM4E
SCHEMBL9155744 0.78 ALOX15 (0.59) RAB9ASMN1; SMN2ALOX15HTTKDM4E
SCHEMBL27899648 0.78 ALOX15 (0.59) RAB9ASMN1; SMN2ALOX15HTTKDM4E
SCHEMBL27899642 0.78 ALOX15 (0.59) RAB9ASMN1; SMN2ALOX15HTTKDM4E
SCHEMBL10796283 0.78 ALOX15 (0.59) RAB9ASMN1; SMN2ALOX15HTTKDM4E

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 HDAC6 901/4885NPC1 3130/4885GAA 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.