SCHEMBL3593656

SCHEMBL3593656

O=[N+]([O-])c1ccc2c(C(O)(CN3CCCS3(=O)=O)C(F)(F)F)cn(Cc3ccccc3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PER2 O15055 2/20 0.35
CRY1 Q16526 2/20 0.35
CRY2 Q49AN0 2/20 0.35
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.34
KAT2B Q92831 1/20 0.34
CACNB4 O00305 1/20 0.34
CACNA1A O00555 1/20 0.34
CACNA1G O43497 1/20 0.34
CACNG3 O60359 1/20 0.34
CACNA1F O60840 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNB3 P54284 1/20 0.34
CACNA2D1 P54289 1/20 0.34
CACNG7 P62955 1/20 0.34
CACNA1B Q00975 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
SCHEMBL3593655 0.92 ALDH1A1 (0.35) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL3593657 0.92 ALDH1A1 (0.35) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL3596984 0.86 ALDH1A1 (0.36) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL3596985 0.86 ALDH1A1 (0.40) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL3596986 0.86 ALDH1A1 (0.36) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL3597934 0.85 CACNB4 (0.44) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL3594430 0.84 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAMAPTRAB9A
SCHEMBL3595274 0.84 HTR7 (0.39) ALDH1A1SMN1; SMN2LMNAMAPTCACNB4
SCHEMBL3590873 0.82 PER2 (0.37) PER2ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL3598200 0.82 KAT2B (0.38) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA

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 2495/4885CRY1 948/4885CRY2 2742/4885

“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.