SCHEMBL3596978

SCHEMBL3596978

CCOC(=O)CCc1ccc(OC2CCCN(CC(O)(c3cn(Cc4ccccc4)c4cc([N+](=O)[O-])ccc34)C(F)(F)F)CC2)c(OC)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
CCR5 P51681 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 2/20 0.34
ABCB1 P08183 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 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
SCHEMBL3598302 0.98 BCHE (0.36) BCHEACHECCR5POLBKMT2A
SCHEMBL3598752 0.94 MAPT (0.34) BCHEACHECCR5POLBKMT2A
SCHEMBL3603337 0.94 BCHE (0.36) BCHEACHECCR5KMT2AKDM4E
SCHEMBL3602671 0.93 KMT2A (0.37) ACHEPOLBKMT2ALMNAMAPT
SCHEMBL3599149 0.93 BCHE (0.36) BCHEACHECCR5POLBKMT2A
SCHEMBL3600053 0.92 ALDH1A1 (0.37) ACHEPOLBKMT2AKDM4ELMNA
SCHEMBL3599950 0.92 POLB (0.38) CCR5POLBKMT2ALMNAMAPT
SCHEMBL13254136 0.92 SIGMAR1 (0.37) BCHEACHECCR5KDM4EABCB1
SCHEMBL3589591 0.91 MAPK1 (0.35) BCHEACHECCR5POLBKMT2A
SCHEMBL3586655 0.91 BCHE (0.38) BCHEACHECCR5KMT2AKDM4E

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 3194/4885CCR5 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.