SCHEMBL2096544

SCHEMBL2096544

OCc1ccc(-c2ccccc2)cc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
RARA P10276 1/20 0.46
RARB P10826 1/20 0.46
RARG P13631 1/20 0.46
ALOX5 P09917 1/20 0.45
BACE1 P56817 2/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
KMT2A Q03164 2/20 0.44
APAF1 O14727 1/20 0.44
NPC1 O15118 1/20 0.44
THRB P10828 1/20 0.44
XBP1 P17861 1/20 0.44
PTBP1 P26599 1/20 0.44
RAB9A P51151 1/20 0.44
GALK1 P51570 1/20 0.44
BLM P54132 1/20 0.44

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
SCHEMBL3148557 0.84 DCLRE1A (0.47) PDCD1CD274ALOX5BACE1MEN1
SCHEMBL2046926 0.84 PDCD1 (0.57) PDCD1CD274BACE1MAPTKMT2A
SCHEMBL7951583 0.82 PDCD1 (0.61) PDCD1CD274BACE1KMT2AMMP3
SCHEMBL5885833 0.81 PDCD1 (0.54) PDCD1CD274ALOX5BACE1MEN1
SCHEMBL2096540 0.81 MEN1 (0.47) ALOX5BACE1MEN1LMNAMAPT
SCHEMBL29059236 0.81 ALOX5 (0.59) ALOX5BACE1MEN1LMNAMAPT
SCHEMBL2861280 0.81 TSHR (0.46) PDCD1CD274BACE1EGFRPTPN1
SCHEMBL3031702 0.80 PTGS1 (0.46) PDCD1CD274ALOX5BACE1MEN1
Biphenyl SCHEMBL11301140 0.79 PDCD1 (0.63) PDCD1CD274BACE1KMT2ABCL2L1
SCHEMBL3781311 0.79 PTGDR2 (0.50) PDCD1CD274BACE1MEN1LMNA

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 PDCD1 1918/4885CD274 1250/4885RARA 121/4885

“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.