SCHEMBL2091876

SCHEMBL2091876

[CH2]OC(=O)Nc1ccc(C(C)CC)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.62
NPSR1 Q6W5P4 2/20 0.59
ALDH1A1 P00352 4/20 0.54
MAPT P10636 3/20 0.54
GAA P10253 1/20 0.54
RAB9A P51151 7/20 0.54
NPC1 O15118 6/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
TP53 P04637 2/20 0.51
HPGD P15428 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 1/20 0.49
ALOX12 P18054 1/20 0.49
PKM P14618 1/20 0.48

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
SCHEMBL2091879 0.88 TSHR (0.64) TSHRNPSR1ALDH1A1MAPTGAA
SCHEMBL11963881 0.85 TSHR (0.60) TSHRNPSR1ALDH1A1MAPTGAA
SCHEMBL2097626 0.84 RAB9A (0.58) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL10447884 0.83 TSHR (0.57) TSHRNPSR1ALDH1A1MAPTGAA
SCHEMBL2095672 0.81 MEN1 (0.48) TSHRALDH1A1MAPTRAB9ANPC1
SCHEMBL2097636 0.81 TSHR (0.68) TSHRNPSR1ALDH1A1MAPTGAA
SCHEMBL2097639 0.81 TSHR (0.68) TSHRNPSR1ALDH1A1MAPTGAA
SCHEMBL9893031 0.81 TSHR (0.73) TSHRNPSR1ALDH1A1MAPTGAA
SCHEMBL4265033 0.80 ALDH1A1 (0.63) TSHRNPSR1ALDH1A1MAPTGAA
SCHEMBL2090591 0.80 ALDH1A1 (0.48) ALDH1A1MAPTGAARAB9ANPC1

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 TSHR 162/4885NPSR1 202/4885ALDH1A1 412/4885

“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.