SCHEMBL2097209

SCHEMBL2097209

CN(Cc1ccc(C(F)(F)F)cc1)Cc1cs[c]n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.50
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 2/20 0.38
LSS P48449 1/20 0.38
TACR1 P25103 1/20 0.37
PHGDH O43175 2/20 0.37
LTA4H P09960 1/20 0.37
HIF1A Q16665 1/20 0.37
EPAS1 Q99814 1/20 0.37
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
KCNH2 Q12809 1/20 0.36
MTOR P42345 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL2093113 0.84 PYCR1 (0.44) PYCR1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL2095937 0.84 PYCR1 (0.44) PYCR1KDM4ESMN1; SMN2ALDH1A1SIGMAR1
SCHEMBL2090581 0.83 SLC6A4 (0.42) PYCR1LMNAALDH1A1LSSSLC6A2
SCHEMBL2096003 0.82 NR1H2 (0.38) PYCR1KDM4ELMNAGAAHTT
SCHEMBL2089879 0.81 PYCR1 (0.47) PYCR1LMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL2091421 0.79 KDM4E (0.48) PYCR1KDM4ELMNAGAAHTT
SCHEMBL2095816 0.78 S1PR1 (0.33) MEN1KMT2AS1PR1
SCHEMBL2098322 0.77 PYCR1 (0.48) PYCR1ALDH1A1TMEM97SIGMAR1KCNH2
SCHEMBL12125001 0.76 PYCR1 (0.64) PYCR1KDM4ELMNAGAAHTT
SCHEMBL2096405 0.75 RORC (0.38) ALDH1A1LTA4HTMEM97KCNH2TAAR1

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 PYCR1 169/4885KDM4E 4578/4885LMNA 4594/4885

“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.