SCHEMBL2090025

SCHEMBL2090025

[CH]c1cccc(OC(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 2/20 0.42
▸ SLC22A12 Q96S37 1/20 0.42
▸ MPI P34949 1/20 0.42
▸ XDH P47989 1/20 0.42
▸ GALR1 P47211 1/20 0.42
▸ DYRK1A Q13627 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ SCN10A Q9Y5Y9 1/20 0.41
▸ KIF11 P52732 2/20 0.41
▸ CETP P11597 1/20 0.41
▸ NPY5R Q15761 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ GRM5 P41594 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ PIM2 Q9P1W9 1/20 0.39
▸ DAO P14920 1/20 0.39

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
SCHEMBL2090027 1.00 GPR3 (0.42) GPR3SLC22A12MPIXDHGALR1
SCHEMBL3147185 0.84 GPR3 (0.50) GPR3SLC22A12MPIXDHGALR1
SCHEMBL2093120 0.83 KIF11 (0.32) SLC22A12MPIXDHGALR1DYRK1A
SCHEMBL2093121 0.83 KIF11 (0.32) SLC22A12MPIXDHGALR1DYRK1A
SCHEMBL2094855 0.77 GPR3 (0.45) GPR3SLC22A12MPIXDHGALR1
SCHEMBL5840598 0.77 SLC13A5 (0.51) XDHGALR1DYRK1AKCNH2SCN10A
SCHEMBL2090642 0.77 GPR3 (0.39) GPR3KIF11PIM1
SCHEMBL3146332 0.76 GPR3 (0.44) GPR3SLC22A12MPIXDHKIF11
SCHEMBL29435934 0.76 GPR3 (0.50) GPR3GALR1KIF11CETPCHRM2
SCHEMBL254534 0.76 GPR3 (0.50) GPR3GALR1KIF11CETPCHRM2

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-2299821-B1 TRICYCLIC COMPOUNDS ABBVIE INC (US) 2015-11-04 — — 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 GPR3 563/4885SLC22A12 2107/4885MPI 4062/4885

“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.

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