SCHEMBL2090191

SCHEMBL2090191

COCc1csc(-c2ccc(OC(F)(F)F)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.56
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
RAB9A P51151 3/20 0.51
TDP1 Q9NUW8 1/20 0.51
HPGD P15428 1/20 0.48
PIM1 P11309 4/20 0.46
SCN10A Q9Y5Y9 1/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TP53 P04637 3/20 0.45
F2RL3 Q96RI0 2/20 0.45
ADORA1 P30542 1/20 0.45
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
AVPR1B P47901 1/20 0.43

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
SCHEMBL2090187 0.86 SHMT2 (0.56) SHMT2KDM4EALDH1A1RAB9ATDP1
SCHEMBL4777890 0.83 SHMT2 (0.58) SHMT2KDM4EALDH1A1RAB9ATDP1
SCHEMBL2705784 0.83 KDM4E (0.65) SHMT2KDM4EALDH1A1RAB9ATDP1
SCHEMBL2096509 0.83 TP53 (0.52) KDM4EALDH1A1RAB9ATDP1MAPT
SCHEMBL2088997 0.83 SHMT2 (0.61) SHMT2KDM4EALDH1A1RAB9ATDP1
SCHEMBL4774884 0.83 SHMT2 (0.61) SHMT2KDM4EALDH1A1RAB9ATDP1
SCHEMBL4905450 0.81 SHMT2 (0.56) SHMT2KDM4EALDH1A1RAB9ATDP1
SCHEMBL27755468 0.81 SHMT2 (0.56) SHMT2KDM4EALDH1A1RAB9ATDP1
SCHEMBL4902981 0.80 SHMT2 (0.55) SHMT2KDM4EALDH1A1RAB9ATDP1
SCHEMBL2096528 0.79 SMN1; SMN2 (0.53) KDM4EALDH1A1RAB9ATDP1HPGD

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 SHMT2 986/4885KDM4E 4578/4885ALDH1A1 412/4885

“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.