SCHEMBL2095451

SCHEMBL2095451

O=C(O)N(c1ccccc1)c1cc(Cl)c(Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.48
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 5/20 0.46
POLB P06746 3/20 0.46
NPC1 O15118 2/20 0.46
HTT P42858 2/20 0.46
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.38
TP53 P04637 1/20 0.37
GLA P06280 1/20 0.36
PAX8 Q06710 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 4/20 0.36
TSHR P16473 2/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL2095449 0.87 NPSR1 (0.47) NPSR1ALDH1A1KMT2APOLBNPC1
SCHEMBL2091976 0.83 NPSR1 (0.47) NPSR1ALDH1A1KMT2APOLBNPC1
SCHEMBL2092081 0.82 NPSR1 (0.50) NPSR1ALDH1A1KMT2APOLBNPC1
SCHEMBL19778 0.81 NPSR1 (0.70) NPSR1ALDH1A1KMT2APOLBNPC1
Bromide SCHEMBL31210017 0.79 NPSR1 (0.67) NPSR1ALDH1A1KMT2APOLBNPC1
Hydrochloric Acid SCHEMBL5094831 0.79 NPSR1 (0.67) NPSR1ALDH1A1KMT2APOLBNPC1
SCHEMBL2096920 0.78 NPSR1 (0.54) NPSR1ALDH1A1KMT2APOLBNPC1
SCHEMBL2094701 0.77 NPSR1 (0.48) NPSR1ALDH1A1KMT2APOLBNPC1
SCHEMBL2092099 0.76 NPSR1 (0.47) NPSR1ALDH1A1KMT2APOLBNPC1
SCHEMBL21723765 0.75 MEN1 (0.43) NPSR1KMT2ANPC1RAB9AMEN1

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 NPSR1 202/4885ALDH1A1 412/4885KMT2A 3324/4885

“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.