SCHEMBL2094887

SCHEMBL2094887

COc1ccc(-c2ccc(OC(F)(F)F)c(Cl)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 5/20 0.46
KMO O15229 2/20 0.45
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PGR P06401 1/20 0.43
AR P10275 1/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
CHRNA7 P36544 1/20 0.41
ABL1 P00519 1/20 0.41
ABCB1 P08183 1/20 0.41
BCR P11274 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
NT5E P21589 1/20 0.40
ALKBH3 Q96Q83 1/20 0.40
PDK2 Q15119 1/20 0.40

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
SCHEMBL4733038 0.86 CA12 (0.45) GRIN2BKMOALDH1A1
SCHEMBL2094886 0.84 KMO (0.45) GRIN2BKMOAKR1C2AKR1C1
SCHEMBL12603887 0.83 TAS1R3 (0.49) KMOMAPK1ALDH1A1ABL1ABCB1
SCHEMBL16604323 0.82 CYP11B1 (0.51) MAPK1L3MBTL1PGRARABL1
SCHEMBL28088333 0.81 KMO (0.48) GRIN2BKMOAKR1C2AKR1C1
SCHEMBL29699525 0.81 KMO (0.51) GRIN2BKMOAKR1C2AKR1C1
SCHEMBL18144224 0.80 TUBB4A (0.55) ABL1ABCB1BCR
SCHEMBL31261408 0.80 TUBB4A (0.55) ABL1ABCB1BCR
SCHEMBL18144220 0.80 TUBB4A (0.55) ABL1ABCB1BCR
SCHEMBL22815715 0.80 KMO (0.47) GRIN2BKMOMAPK1ALDH1A1TSHR

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 GRIN2B 269/4885KMO 3391/4885MAPK1 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.