SCHEMBL2089122

SCHEMBL2089122

COCc1nc(-c2ccccc2)no1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.69
NPC1 O15118 10/20 0.69
L3MBTL1 Q9Y468 8/20 0.69
SMN1; SMN2 Q16637 7/20 0.69
MAPK1 P28482 7/20 0.69
TDP1 Q9NUW8 5/20 0.69
HPGD P15428 4/20 0.64
NPSR1 Q6W5P4 1/20 0.64
MAPT P10636 6/20 0.64
TSHR P16473 6/20 0.64
CASP3 P42574 2/20 0.64
SENP8 Q96LD8 2/20 0.64
SENP7 Q9BQF6 2/20 0.64
SENP6 Q9GZR1 2/20 0.64
NOTUM Q6P988 1/20 0.62
ALDH1A1 P00352 2/20 0.60
KDM4E B2RXH2 1/20 0.60
HTT P42858 1/20 0.60
HSD17B10 Q99714 1/20 0.60
CYP1A2 P05177 1/20 0.58

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
SCHEMBL19187518 0.85 MAPT (0.65) RAB9ANPC1L3MBTL1SMN1; SMN2MAPK1
SCHEMBL5312911 0.83 MAPK1 (0.57) RAB9ANPC1L3MBTL1SMN1; SMN2MAPK1
SCHEMBL17278354 0.83 NPC1 (0.63) RAB9ANPC1L3MBTL1SMN1; SMN2MAPK1
SCHEMBL13401008 0.83 KDM4E (0.67) RAB9ANPC1L3MBTL1SMN1; SMN2MAPK1
SCHEMBL12377806 0.83 SMN1; SMN2 (0.70) RAB9ANPC1L3MBTL1SMN1; SMN2MAPK1
SCHEMBL60213 0.82 L3MBTL1 (0.55) RAB9ANPC1L3MBTL1SMN1; SMN2MAPK1
SCHEMBL14441200 0.81 MAPK1 (0.54) RAB9ANPC1L3MBTL1SMN1; SMN2MAPK1
SCHEMBL655414 0.80 NOTUM (0.68) RAB9ANPC1L3MBTL1SMN1; SMN2MAPK1
SCHEMBL91541 0.80 NOTUM (0.68) RAB9ANPC1L3MBTL1SMN1; SMN2MAPK1
SCHEMBL24505392 0.78 MAPK1 (0.52) RAB9ANPC1L3MBTL1SMN1; SMN2MAPK1

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 RAB9A 3153/4885NPC1 3130/4885L3MBTL1 2575/4885

“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.