SCHEMBL3597392

SCHEMBL3597392

COc1cccc(Cn2cc(C(O)(CN3CCC(Oc4ccc(CCC(=O)O)cc4OC)CC3)C(F)(F)F)c3ccc([N+](=O)[O-])cc32)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK1 P28482 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
PLA2G4A P47712 2/20 0.35
FKBP1A P62942 1/20 0.34
FKBP5 Q13451 1/20 0.34
ACHE P22303 1/20 0.34
HRH2 P25021 2/20 0.33
MAPT P10636 1/20 0.33
KCNJ1 P48048 1/20 0.33
SCN1A P35498 1/20 0.33
SCN8A Q9UQD0 1/20 0.33

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 0.94 BCHE (0.38) ALDH1A1KDM4EMAPK1KMT2AMEN1
SCHEMBL3598750 0.94 ALDH1A1 (0.38) ALDH1A1KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL3598755 0.94 ALDH1A1 (0.38) ALDH1A1KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL3589123 0.94 KMT2A (0.37) ALDH1A1KDM4EKMT2AMEN1HTT
SCHEMBL3600053 0.93 ALDH1A1 (0.37) ALDH1A1KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL3603337 0.92 BCHE (0.36) ALDH1A1KDM4EMAPK1KMT2AMEN1
SCHEMBL3600109 0.90 KCNJ1 (0.38) ALDH1A1KDM4EMAPK1KMT2AHTT
SCHEMBL3602122 0.90 BCHE (0.38) KDM4EMAPK1KMT2AMEN1PLA2G4A
SCHEMBL13254257 0.89 MEN1 (0.37) ALDH1A1KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL3596514 0.89 OPRK1 (0.39) MAPK1KMT2AMEN1PLA2G4AACHE

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 ALDH1A1 4118/4885KDM4E 1967/4885CYP1A2 1124/4885

“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.