SCHEMBL2097774

SCHEMBL2097774

[CH2]C(C)Cc1ccc2nonc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.53
KCNJ1 P48048 4/20 0.46
KCNH2 Q12809 4/20 0.46
ALDH1A1 P00352 4/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ENPP2 Q13822 2/20 0.41
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL8197998 0.85 PKM (0.55) PKMKCNJ1KCNH2ALDH1A1ALOX15
SCHEMBL20939333 0.75 KCNJ1 (0.54) PKMKCNJ1KCNH2ALDH1A1ALOX15
SCHEMBL2056122 0.75 KCNJ1 (0.53) PKMKCNJ1KCNH2ALDH1A1ALOX15
SCHEMBL2093216 0.75 KCNJ1 (0.53) PKMKCNJ1KCNH2ALDH1A1ALOX15
SCHEMBL8190246 0.72 KCNJ1 (0.59) PKMKCNJ1KCNH2ALDH1A1ALOX15
SCHEMBL2095110 0.72 KCNJ1 (0.59) PKMKCNJ1KCNH2ALDH1A1ALOX15
SCHEMBL5541774 0.71 MEN1 (0.53) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3271828 0.71 KCNJ1 (0.53) PKMKCNJ1KCNH2ALDH1A1ALOX15
SCHEMBL243150 0.71 KCNJ1 (0.53) PKMKCNJ1KCNH2ALDH1A1ALOX15
SCHEMBL8913108 0.71 ENPP2 (0.54) PKMKCNJ1KCNH2ALDH1A1ALOX15

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 PKM 3041/4885KCNJ1 3137/4885KCNH2 3121/4885

“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.