SCHEMBL3604779

SCHEMBL3604779

CCOC(=O)CCc1cc(OC)c(OC2CCN(CC(O)(c3cn(-c4ccccc4)c4cc([N+](=O)[O-])ccc34)C(F)(F)F)CC2)c(OC)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 4/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NTRK1 P04629 1/20 0.34
FKBP1A P62942 1/20 0.33
MET P08581 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
HTR1A P08908 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PLA2G4A P47712 1/20 0.32

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
SCHEMBL3596823 0.94 KMT2A (0.37) POLBKMT2AALDH1A1MAPTGAA
SCHEMBL3592787 0.94 KMT2A (0.37) POLBKMT2AALDH1A1MAPTGAA
SCHEMBL3590556 0.93 KMT2A (0.38) KMT2AALDH1A1FKBP1AMEN1MAPK1
SCHEMBL3589591 0.91 MAPK1 (0.35) POLBKMT2AALDH1A1MAPTGAA
SCHEMBL3598752 0.89 MAPT (0.34) POLBKMT2AALDH1A1MAPTGAA
SCHEMBL13254401 0.88 CCR5 (0.34) POLBKMT2AALDH1A1MAPTGAA
SCHEMBL3597022 0.88 KMT2A (0.39) KMT2AALDH1A1MAPTGAASMN1; SMN2
SCHEMBL3603186 0.88 KMT2A (0.39) KMT2AMAPTSMN1; SMN2FKBP1AMEN1
SCHEMBL3597700 0.88 MAPK1 (0.34) POLBKMT2AALDH1A1MAPTGAA
SCHEMBL3594794 0.87 POLB (0.35) POLBKMT2AALDH1A1MAPTGAA

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 POLB 4635/4885KMT2A 4721/4885ALDH1A1 4118/4885

“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.