SCHEMBL2094890

SCHEMBL2094890

[O]c1ccc2cccnc2c1N1CCC(Nc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
EGLN1 Q9GZT9 1/20 0.43
TP53 P04637 1/20 0.42
SLC40A1 Q9NP59 3/20 0.41
PHGDH O43175 1/20 0.39
PAK1 Q13153 1/20 0.38
SYK P43405 1/20 0.38
HSP90AA1 P07900 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL27666165 0.83 TRPV1 (0.48) TRPV1SMN1; SMN2USP2LMNAMAPT
SCHEMBL2094953 0.81 SLC40A1 (0.38) SMN1; SMN2LMNAMAPTHTTTP53
SCHEMBL2096479 0.77 KMT2A (0.46) MAPTSLC40A1KMT2A
SCHEMBL2094914 0.75 DKK1 (0.41) SMN1; SMN2LMNAMAPTHTTTP53
SCHEMBL2095387 0.73 HTR1A (0.47) SMN1; SMN2LMNAMAPTHTTTP53
SCHEMBL2091914 0.71 ALDH1A1 (0.40) TRPV1SMN1; SMN2LMNAMAPTHTT
SCHEMBL2095541 0.71 MAPT (0.41) SMN1; SMN2MAPTTP53PHGDH
SCHEMBL5542611 0.70 CA2 (0.49) LMNAMAPTPHGDHPAK1
SCHEMBL28232978 0.68 SLC40A1 (0.61) TRPV1MAPTEGLN1SLC40A1
SCHEMBL31342940 0.67 PHGDH (0.47) TRPV1MAPTPHGDHPAK1

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 5 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
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO 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 TRPV1 2567/4885SMN1; SMN2 3787/4885USP2 1756/4885

“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.