SCHEMBL2094441

SCHEMBL2094441

[CH2]OCc1nnnn1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 3/20 0.56
PKM P14618 2/20 0.50
HTT P42858 1/20 0.50
NLRP3 Q96P20 1/20 0.50
ALDH1A1 P00352 4/20 0.49
LMNA P02545 2/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.41
RXRA P19793 5/20 0.41
GRIN1 Q05586 5/20 0.41
GRIN2B Q13224 5/20 0.41
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
P2RX7 Q99572 1/20 0.38
SLC5A1 P13866 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
SCHEMBL2094445 0.86 PRMT1 (0.59) PRMT1PKMHTTNLRP3ALDH1A1
SCHEMBL2090299 0.83 PKM (0.49) PRMT1PKMHTTNLRP3ALDH1A1
SCHEMBL2056316 0.83 PRMT1 (0.61) PRMT1PKMHTTNLRP3ALDH1A1
SCHEMBL2095298 0.79 HTT (0.71) PKMHTTNLRP3ALDH1A1LMNA
SCHEMBL2090294 0.78 ALDH1A1 (0.65) PKMHTTNLRP3ALDH1A1LMNA
SCHEMBL8345203 0.75 PRMT1 (0.49) PRMT1HTTKMT2AL3MBTL1RXRA
SCHEMBL30620392 0.75 PRMT1 (0.49) PRMT1HTTALDH1A1L3MBTL1RXRA
SCHEMBL10237974 0.75 CYP1A2 (0.66) PRMT1HTTALDH1A1LMNAKMT2A
SCHEMBL14606087 0.72 HSD11B1 (0.65) PRMT1ALDH1A1L3MBTL1MMP2MMP3
SCHEMBL18031144 0.71 ALDH1A1 (0.53) PRMT1ALDH1A1LMNAL3MBTL1

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 3 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

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 PRMT1 781/4885PKM 3041/4885HTT 4689/4885

“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.