SCHEMBL2094785

SCHEMBL2094785

[CH2]c1nc(-c2ccccc2)no1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.63
NOTUM Q6P988 2/20 0.59
GPR55 Q9Y2T6 1/20 0.55
SMN1; SMN2 Q16637 12/20 0.53
RAB9A P51151 9/20 0.52
NPC1 O15118 8/20 0.52
NFKB1 P19838 5/20 0.52
NFKB2 Q00653 5/20 0.52
RELA Q04206 5/20 0.52
L3MBTL1 Q9Y468 6/20 0.50
MAPT P10636 5/20 0.50
TP53 P04637 4/20 0.50
MAPK1 P28482 4/20 0.50
ALDH1A1 P00352 4/20 0.50
HSD17B10 Q99714 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
CYP1A2 P05177 2/20 0.50
KDM4E B2RXH2 2/20 0.50

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
SCHEMBL2360965 0.79 NPC1 (0.51) SMN1; SMN2RAB9ANPC1L3MBTL1MAPT
SCHEMBL2359855 0.79 NOTUM (0.56) NR1H4NOTUMSMN1; SMN2RAB9ANPC1
SCHEMBL2090310 0.77 RAB9A (0.61) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL2360818 0.77 TP53 (0.56) SMN1; SMN2RAB9ANPC1L3MBTL1TP53
SCHEMBL1473020 0.77 NR1H4 (1.00) NR1H4NOTUMGPR55SMN1; SMN2RAB9A
SCHEMBL3770905 0.76 NR1H4 (0.65) NR1H4NOTUMGPR55SMN1; SMN2RAB9A
SCHEMBL5661093 0.75 RAB9A (0.61) NR1H4SMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL8830004 0.75 NPC1 (0.59) SMN1; SMN2RAB9ANPC1L3MBTL1MAPT
SCHEMBL7958860 0.74 SMN1; SMN2 (0.65) NR1H4NOTUMGPR55SMN1; SMN2RAB9A
SCHEMBL255502 0.74 L3MBTL1 (0.74) NR1H4NOTUMGPR55SMN1; SMN2RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2999338-B1 KNOWN AND NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2017-07-12 EP disclosed
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 NR1H4 446/4885NOTUM 4043/4885GPR55 1396/4885

“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.