SCHEMBL3592032

SCHEMBL3592032

CCOC(=O)CCc1cc(OC)c(OC2CCN(CC(O)(c3cn(Cc4ccccc4F)c4cc(Br)ccc34)C(F)(F)F)CC2)c(OC)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 3/20 0.33
TSHR P16473 1/20 0.33
PDE7A Q13946 1/20 0.32
RIPK1 Q13546 2/20 0.31
PDE4B Q07343 1/20 0.31
POLB P06746 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL3603366 0.93 MAPT (0.36) ALDH1A1MEN1KMT2AKDM4ETSHR
SCHEMBL3599494 0.93 MEN1 (0.35) ALDH1A1NPSR1MEN1KMT2AKDM4E
SCHEMBL13254263 0.88 PDE4B (0.34) ALDH1A1MAPK1MEN1KMT2AKDM4E
SCHEMBL3583169 0.87 KMT2A (0.36) ALDH1A1NPSR1MEN1KMT2AKDM4E
SCHEMBL3588724 0.86 HRH2 (0.38) MEN1KMT2AKDM4E
SCHEMBL13282290 0.86 ALDH1A1 (0.32) ALDH1A1NPSR1MEN1KMT2AKDM4E
SCHEMBL3598098 0.86 MAPT (0.37) ALDH1A1NPSR1MEN1KMT2AKDM4E
SCHEMBL3602675 0.85 BCHE (0.35) ALDH1A1KMT2AKDM4E
SCHEMBL3597752 0.84 OPRK1 (0.37)
SCHEMBL3590798 0.83 USP14 (0.34) MEN1KMT2AATM

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 ALDH1A1 4118/4885MAPK1 703/4885NPSR1 535/4885

“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.