SCHEMBL3583169

SCHEMBL3583169

COc1cc(C(=O)O)cc(OC)c1OC1CCN(CC(O)(c2cn(Cc3ccccc3F)c3cc(Br)ccc23)C(F)(F)F)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NTSR1 P30989 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
PDE7A Q13946 1/20 0.34
PDE4B Q07343 1/20 0.34
HRH2 P25021 1/20 0.33
POLB P06746 1/20 0.33
PLA2G4A P47712 1/20 0.33
LTB4R Q15722 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 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
SCHEMBL3599494 0.91 MEN1 (0.35) KMT2AALDH1A1MEN1KDM4ENTSR1
SCHEMBL3592032 0.87 ALDH1A1 (0.33) KMT2AALDH1A1MEN1KDM4ENPSR1
SCHEMBL3597402 0.86 HRH2 (0.36) KMT2AALDH1A1MEN1KDM4ENTSR1
SCHEMBL13282290 0.85 ALDH1A1 (0.32) KMT2AALDH1A1MEN1LMNAKDM4E
SCHEMBL3598098 0.85 MAPT (0.37) KMT2AALDH1A1MEN1KDM4ENTSR1
SCHEMBL3588724 0.84 HRH2 (0.38) KMT2AMEN1KDM4EHRH2
SCHEMBL13254263 0.83 PDE4B (0.34) KMT2AALDH1A1MEN1KDM4EPDE4B
SCHEMBL3603366 0.82 MAPT (0.36) KMT2AALDH1A1MEN1LMNAKDM4E
SCHEMBL3591945 0.81 CCR5 (0.38) ALDH1A1LMNAPLA2G4ALTB4RBCHE
SCHEMBL3599436 0.79 BCHE (0.37) KMT2AALDH1A1MEN1LMNAKDM4E

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 KMT2A 4721/4885ALDH1A1 4118/4885MEN1 3628/4885

“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.