SCHEMBL3602122

SCHEMBL3602122

COc1cc(CCC(=O)O)ccc1OC1CCN(CC(O)(c2cn(Cc3ccccc3)c3ccc([N+](=O)[O-])cc23)C(F)(F)F)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
KMT2A Q03164 2/20 0.37
CCR5 P51681 1/20 0.37
PLA2G4A P47712 3/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL3586655 0.95 BCHE (0.38) BCHEACHEKMT2ACCR5PLA2G4A
SCHEMBL13254365 0.94 SIGMAR1 (0.39) BCHEACHEKMT2ACCR5LMNA
SCHEMBL3599149 0.93 BCHE (0.36) BCHEACHEKMT2ACCR5LMNA
SCHEMBL3603337 0.93 BCHE (0.36) BCHEACHEKMT2ACCR5PLA2G4A
SCHEMBL14160077 0.91 KMT2A (0.38) BCHEACHEKMT2ACCR5PLA2G4A
SCHEMBL3589123 0.90 KMT2A (0.37) BCHEACHEKMT2ACCR5LMNA
SCHEMBL3597392 0.90 ALDH1A1 (0.38) ACHEKMT2APLA2G4AMEN1MAPK1
SCHEMBL3600109 0.89 KCNJ1 (0.38) BCHEACHEKMT2ACCR5PLA2G4A
SCHEMBL13254264 0.89 SIGMAR1 (0.37) BCHEACHECCR5MAPK1SMN1; SMN2
SCHEMBL3596388 0.88 SIGMAR1 (0.39) KMT2ACCR5LMNAMEN1MAPK1

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 BCHE 3002/4885ACHE 3194/4885KMT2A 4721/4885

“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.