SCHEMBL2095342

SCHEMBL2095342

Oc1ccc(-c2nc(-c3ccc(Cl)cc3)co2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.62
HSD17B2 P37059 1/20 0.62
MAPT P10636 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
USP7 Q93009 1/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
LTA4H P09960 1/20 0.46
SMO Q99835 2/20 0.46
ENPP3 O14638 2/20 0.45
ENPP1 P22413 2/20 0.45
S1PR1 P21453 1/20 0.45
S1PR3 Q99500 1/20 0.45
ALOX5 P09917 2/20 0.43
DEGS1 O15121 1/20 0.43
MAP4K4 O95819 1/20 0.43
CYP3A4 P08684 1/20 0.43
AMY1A P0DUB6 1/20 0.43

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
SCHEMBL5211157 0.84 ENPP3 (0.62) HSD17B1HSD17B2MAPTHDAC1HDAC8
SCHEMBL28474694 0.84 ENPP3 (0.62) HSD17B1HSD17B2MAPTHDAC1HDAC8
SCHEMBL15706787 0.83 HSD17B1 (0.62) HSD17B1HSD17B2MAPTMEN1KMT2A
SCHEMBL28478085 0.83 HDAC1 (0.49) HSD17B1HSD17B2MEN1KMT2AHDAC1
SCHEMBL7221671 0.81 NPC1 (0.54) HSD17B1HSD17B2MEN1KMT2AHDAC1
SCHEMBL7217120 0.81 NPC1 (0.54) HSD17B1HSD17B2MEN1KMT2AHDAC1
SCHEMBL28482470 0.79 ALOX5 (0.47) HSD17B1HSD17B2MAPTHDAC1HDAC8
SCHEMBL16199783 0.79 HSD17B1 (0.57) HSD17B1HSD17B2MEN1KMT2AUSP7
SCHEMBL25676047 0.78 HDAC1 (0.54) MAPTKMT2AHDAC1HDAC8HDAC6
SCHEMBL27762823 0.78 MEN1 (0.50) HSD17B1HSD17B2MAPTMEN1KMT2A

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 6 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
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN 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 HSD17B1 384/4885HSD17B2 314/4885MAPT 4299/4885

“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.