SCHEMBL2089968

SCHEMBL2089968

COc1c(-c2nc3ccccc3[nH]2)cc(-c2nc3ccccc3[nH]2)cc1-c1nc2ccccc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.61
NPC1 O15118 12/20 0.61
RAB9A P51151 12/20 0.61
SMN1; SMN2 Q16637 10/20 0.61
KDM4E B2RXH2 10/20 0.61
PKM P14618 6/20 0.61
AMY1A P0DUB6 2/20 0.58
HPGD P15428 6/20 0.56
HSD17B10 Q99714 4/20 0.56
MAPT P10636 4/20 0.56
USP2 O75604 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
GAA P10253 1/20 0.56
NPSR1 Q6W5P4 2/20 0.54
HTT P42858 1/20 0.54
SLC2A1 P11166 1/20 0.53
TP53 P04637 4/20 0.53
ABCB11 O95342 1/20 0.53
PKN1 Q16512 1/20 0.51
PKN2 Q16513 1/20 0.51

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
SCHEMBL2089965 0.85 ALDH1A1 (0.56) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7917574 0.85 ALDH1A1 (0.61) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2090887 0.82 AMY1A (0.63) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL12153689 0.80 NPC1 (0.77) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL27072943 0.79 AMY1A (0.59) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL15497747 0.78 NPC1 (0.74) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9009626 0.78 AMY1A (0.67) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7395130 0.78 AMY1A (0.69) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL31027930 0.76 AMY1A (0.76) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2242715 0.76 NPC1 (1.00) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E

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 ALDH1A1 412/4885NPC1 3130/4885RAB9A 3153/4885

“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.