SCHEMBL3592787

SCHEMBL3592787

CCOC(=O)CCc1cc(OC)c(OC2CCN(CC(O)(c3cn(-c4ccc(Cl)cc4)c4cc([N+](=O)[O-])ccc34)C(F)(F)F)CC2)c(OC)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.37
MEN1 O00255 2/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.34
HTR1A P08908 1/20 0.33
MAPT P10636 5/20 0.33
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
GAA P10253 1/20 0.33
MET P08581 1/20 0.32
FKBP1A P62942 1/20 0.32
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CACNB4 O00305 1/20 0.31
CACNA1A O00555 1/20 0.31
CACNA1G O43497 1/20 0.31
CACNG3 O60359 1/20 0.31
CACNA1F O60840 1/20 0.31
CACNA1H O95180 1/20 0.31
CACNB3 P54284 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
SCHEMBL3596823 0.94 KMT2A (0.37) KMT2AMEN1POLBNPC1HTR1A
SCHEMBL3604779 0.94 POLB (0.36) KMT2AMEN1POLBHTR1AMAPT
SCHEMBL3603186 0.93 KMT2A (0.39) KMT2AMEN1HTR1AMAPTSMN1; SMN2
SCHEMBL3589591 0.87 MAPK1 (0.35) KMT2APOLBHTR1AMAPTALDH1A1
SCHEMBL3597022 0.87 KMT2A (0.39) KMT2AMEN1HTR1AMAPTALDH1A1
SCHEMBL3590556 0.87 KMT2A (0.38) KMT2AMEN1HTR1AALDH1A1FKBP1A
SCHEMBL13282462 0.87 KMT2A (0.35) KMT2AMEN1HTR1AMAPTSMN1; SMN2
SCHEMBL3594794 0.86 POLB (0.35) KMT2AMEN1POLBHTR1AMAPT
SCHEMBL3598752 0.85 MAPT (0.34) KMT2APOLBHTR1AMAPTALDH1A1
SCHEMBL3597700 0.84 MAPK1 (0.34) KMT2APOLBHTR1AMAPTALDH1A1

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 4721/4885MEN1 3628/4885POLB 4635/4885

“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.