SCHEMBL3590873

SCHEMBL3590873

O=C1CCCN1CC(O)(c1cn(Cc2ccccc2)c2cc([N+](=O)[O-])ccc12)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PER2 O15055 3/20 0.37
KAT2B Q92831 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ACHE P22303 3/20 0.35
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
CACNB4 O00305 1/20 0.35
CACNA1A O00555 1/20 0.35
CACNA1G O43497 1/20 0.35
CACNG3 O60359 1/20 0.35
CACNA1F O60840 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNB3 P54284 1/20 0.35
CACNA2D1 P54289 1/20 0.35
CACNG7 P62955 1/20 0.35
CACNA1B Q00975 1/20 0.35

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
SCHEMBL3587668 0.97 L3MBTL1 (0.40) PER2KAT2BL3MBTL1ACHEALDH1A1
SCHEMBL3596250 0.88 KAT2B (0.36) KAT2BACHEALDH1A1KMT2ASMN1; SMN2
SCHEMBL3598200 0.86 KAT2B (0.38) KAT2BACHEALDH1A1KMT2ASMN1; SMN2
SCHEMBL3597934 0.86 CACNB4 (0.44) KAT2BALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL3594430 0.85 ALDH1A1 (0.44) L3MBTL1ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL3600408 0.83 KCNJ1 (0.47) ALDH1A1KMT2ASMN1; SMN2LMNAMEN1
SCHEMBL13254029 0.83 ALDH1A1 (0.37) KAT2BL3MBTL1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3595274 0.83 HTR7 (0.39) ACHEALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL3585759 0.83 ALDH1A1 (0.41) KAT2BACHEALDH1A1KMT2ASMN1; SMN2
SCHEMBL3593656 0.82 PER2 (0.35) PER2KAT2BACHEALDH1A1KMT2A

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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 PER2 2495/4885KAT2B 3394/4885L3MBTL1 3816/4885

“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.