SCHEMBL2090887

SCHEMBL2090887

COc1ccc(-c2nc3ccccc3[nH]2)cc1-c1nc2ccccc2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 3/20 0.63
NPC1 O15118 8/20 0.62
RAB9A P51151 8/20 0.62
SMN1; SMN2 Q16637 6/20 0.62
KDM4E B2RXH2 6/20 0.62
ALDH1A1 P00352 6/20 0.62
PKM P14618 4/20 0.62
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
POLB P06746 1/20 0.59
SLC2A1 P11166 1/20 0.57
ALOX5 P09917 1/20 0.56
EPHX2 P34913 1/20 0.56
HPGD P15428 4/20 0.55
MAPT P10636 3/20 0.55
NFKB1 P19838 2/20 0.55
NFKB2 Q00653 2/20 0.55
RELA Q04206 2/20 0.55
HPSE Q9Y251 2/20 0.54
GUSB P08236 1/20 0.53

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
SCHEMBL27072943 0.93 AMY1A (0.59) AMY1ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL12470605 0.88 ALOX5 (0.70) AMY1ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2090883 0.86 NPC1 (0.56) AMY1ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL15643913 0.86 SMN1; SMN2 (0.64) AMY1ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL20125069 0.86 AMY1A (0.63) AMY1ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3332738 0.84 AMY1A (0.67) AMY1ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2349584 0.84 SMN1; SMN2 (0.68) AMY1ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7395868 0.84 CYP1A1 (0.69) AMY1ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL14970819 0.84 NPC1 (0.61) AMY1ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4175670 0.84 NPC1 (0.61) AMY1ANPC1RAB9ASMN1; 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 AMY1A 4653/4885NPC1 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.