SCHEMBL3590665

SCHEMBL3590665

COc1cc(CC(=O)O)ccc1OC1CCN(CC(O)(c2cn(Cc3cccc(C)c3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.37
CACNB4 O00305 1/20 0.36
CACNA1A O00555 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNG3 O60359 1/20 0.36
CACNA1F O60840 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNB3 P54284 1/20 0.36
CACNA2D1 P54289 1/20 0.36
CACNG7 P62955 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNA1D Q01668 1/20 0.36
CACNB1 Q02641 1/20 0.36
CACNG1 Q06432 1/20 0.36
CACNB2 Q08289 1/20 0.36
CACNA1S Q13698 1/20 0.36
CACNA1C Q13936 1/20 0.36
CACNA1E Q15878 1/20 0.36
CACNA2D4 Q7Z3S7 1/20 0.36
CACNA2D3 Q8IZS8 1/20 0.36

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
SCHEMBL3592620 1.00 MAPK1 (0.37) MAPK1CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL3596388 0.94 SIGMAR1 (0.39) MAPK1MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL3598750 0.94 ALDH1A1 (0.38) MAPK1MAPTALDH1A1ACHESIGMAR1
SCHEMBL3598755 0.94 ALDH1A1 (0.38) MAPK1MAPTALDH1A1ACHESIGMAR1
SCHEMBL3592832 0.94 KMT2A (0.40) MAPK1ACHESIGMAR1HRH2CCR5
SCHEMBL3599687 0.94 KMT2A (0.40) MAPK1ACHESIGMAR1HRH2CCR5
SCHEMBL3589007 0.94 ALDH1A1 (0.37) MAPTSMN1; SMN2ALDH1A1LMNAACHE
SCHEMBL3589013 0.94 ALDH1A1 (0.37) MAPTSMN1; SMN2ALDH1A1LMNAACHE
SCHEMBL13254246 0.93 PDE4B (0.36) MAPK1CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL3602656 0.93 MAPK1 (0.37) MAPK1MAPTSMN1; SMN2ALDH1A1LMNA

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 4 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

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 MAPK1 703/4885CACNB4 2414/4885CACNA1A 2571/4885

“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.