SCHEMBL3603337

SCHEMBL3603337

COc1cc(CCC(=O)O)ccc1OC1CCCN(CC(O)(c2cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
CCR5 P51681 1/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 1/20 0.35
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.34
PLA2G4A P47712 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
SCHEMBL3586655 0.97 BCHE (0.38) BCHEACHECCR5KMT2AKDM4E
SCHEMBL3596978 0.94 BCHE (0.34) BCHEACHECCR5KMT2AKDM4E
SCHEMBL3596567 0.93 MAPK1 (0.35) BCHEACHECCR5KMT2AL3MBTL1
SCHEMBL3589123 0.93 KMT2A (0.37) BCHEACHECCR5KMT2AKDM4E
SCHEMBL3602122 0.93 BCHE (0.38) BCHEACHECCR5KMT2AKDM4E
SCHEMBL3597392 0.92 ALDH1A1 (0.38) ACHEKMT2AKDM4EMAPK1ALDH1A1
SCHEMBL3600109 0.92 KCNJ1 (0.38) BCHEACHECCR5KMT2AKDM4E
SCHEMBL3596388 0.91 SIGMAR1 (0.39) CCR5KMT2AKDM4EMAPK1LMNA
SCHEMBL3598302 0.91 BCHE (0.36) BCHEACHECCR5KMT2AKDM4E
SCHEMBL3587922 0.91 MAPK1 (0.37) BCHEACHECCR5KMT2AMAPK1

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 BCHE 3002/4885ACHE 3194/4885CCR5 958/4885

“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.