SCHEMBL2098022

SCHEMBL2098022

[CH2]Oc1ccccc1-n1cccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 1/20 0.41
ALDH1A1 P00352 3/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 2/20 0.37
TSPO P30536 1/20 0.34
CYP2C19 P33261 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MGLL Q99685 1/20 0.31
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30

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
SCHEMBL2098026 0.77 CA12 (0.52) GAAKDM4ECYP1A2CYP2D6ALDH1A1
SCHEMBL2094823 0.75 MAPT (0.38) GAAKDM4EMAPK1CYP1A2ALDH1A1
SCHEMBL15882462 0.72 TSHR (0.46) GAAKDM4EMAPK1CYP1A2CYP2D6
SCHEMBL10947092 0.71 CA1 (0.44) GAAKDM4EMAPK1ALDH1A1MAPT
SCHEMBL11310403 0.70 HTR1A (0.55) GAAMAPK1CYP1A2CYP2D6MAPT
SCHEMBL2462123 0.69 KDM4E (0.52) GAAKDM4EMAPK1CYP1A2ALDH1A1
SCHEMBL17311050 0.67 L3MBTL1 (0.54) KDM4ECYP1A2CYP2D6ALDH1A1L3MBTL1
SCHEMBL6867319 0.66 MAPT (0.56) GAAKDM4EALDH1A1MAPTL3MBTL1
SCHEMBL14527077 0.65 ALDH1A1 (0.58) GAAKDM4ECYP1A2CYP2D6ALDH1A1
SCHEMBL11720956 0.65 ALDH1A1 (0.58) GAAKDM4ECYP1A2CYP2D6ALDH1A1

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 GAA 3982/4885KDM4E 4578/4885MAPK1 2105/4885

“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.