SCHEMBL5544435

SCHEMBL5544435

[N]=CCCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ CASP1 P29466 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ CYP2A6 P11509 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.46
▸ LOXL2 Q9Y4K0 1/20 0.46
▸ GPR52 Q9Y2T5 2/20 0.44
▸ MAOB P27338 3/20 0.42
▸ MAOA P21397 3/20 0.42
▸ CALM1 P0DP23 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL1921250 0.85 SIGMAR1 (0.48) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL5539291 0.83 MAOA (0.52) ALOX15HTR2AMAOBMAOASIGMAR1
SCHEMBL5542492 0.81 SIGMAR1 (0.52) MAOBMAOASIGMAR1
SCHEMBL9715286 0.78 GPR52 (0.57) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL7762164 0.78 GPR52 (0.57) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL7762166 0.78 GPR52 (0.57) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL205556 0.78 ALDH1A1 (0.52) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL2231941 0.76 ALDH1A1 (0.65) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL4823765 0.76 ALDH1A1 (0.65) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL184329 0.74 GPR52 (0.48) ALDH1A1HPGDALOX15ALOX12CASP1

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
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 — — EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 — — EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 — — US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 — — US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 — — EP 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 ALDH1A1 355/4885HPGD 3159/4885ALOX15 2847/4885

“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.

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