SCHEMBL2090712

SCHEMBL2090712

NCc1cccc(OC(F)(F)C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.42
PNMT P11086 1/20 0.41
ENPP2 Q13822 1/20 0.41
HTR2C P28335 1/20 0.41
LOXL2 Q9Y4K0 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
CETP P11597 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
DAO P14920 1/20 0.38
LOX P28300 1/20 0.38
F10 P00742 1/20 0.37

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
SCHEMBL2092566 0.86 TAAR1 (0.57) MAOBHTR2CTAAR1CHRM2CHRM1
SCHEMBL111452 0.85 HTR2C (0.52) MAOBPNMTENPP2HTR2CCETP
SCHEMBL29786543 0.85 HTR2C (0.52) MAOBPNMTENPP2HTR2CCETP
Hydrochloric Acid SCHEMBL2714307 0.84 HTR2C (0.51) MAOBHTR2CCETPCHRM2CHRM1
SCHEMBL18266306 0.84 MAOB (0.46) MAOBPNMTENPP2HTR2CLOXL2
SCHEMBL2092170 0.83 TAAR1 (0.46) MAOBTAAR1CHRM2CHRM1CHRM3
SCHEMBL2098172 0.82 TAAR1 (0.45) TAAR1CHRM2CHRM1CHRM3DAO
SCHEMBL2090710 0.82 CETP (0.39) CETPCHRM2CHRM1CHRM3DAO
SCHEMBL2091050 0.82 CETP (0.39) CETPCHRM2CHRM1CHRM3DAO
SCHEMBL2097390 0.82 CETP (0.39) CETPCHRM2CHRM1CHRM3DAO

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 MAOB 1654/4885PNMT 3431/4885ENPP2 1640/4885

“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.