SCHEMBL3603186

SCHEMBL3603186

COc1cc(CCC(=O)O)cc(OC)c1OC1CCN(CC(O)(c2cn(-c3ccc(Cl)cc3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.38
FFAR4 Q5NUL3 2/20 0.34
FFAR1 O14842 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR1A P08908 1/20 0.33
CACNB4 O00305 1/20 0.32
CACNA1A O00555 1/20 0.32
CACNA1G O43497 1/20 0.32
CACNG3 O60359 1/20 0.32
CACNA1F O60840 1/20 0.32
CACNA1H O95180 1/20 0.32
CACNB3 P54284 1/20 0.32
CACNA2D1 P54289 1/20 0.32
CACNG7 P62955 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNA1D Q01668 1/20 0.32
CACNB1 Q02641 1/20 0.32
CACNG1 Q06432 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
SCHEMBL3597022 0.94 KMT2A (0.39) KMT2AMEN1FFAR4MAPTSMN1; SMN2
SCHEMBL3590556 0.94 KMT2A (0.38) KMT2AMEN1FFAR4HTR1APLA2G4A
SCHEMBL3592787 0.93 KMT2A (0.37) KMT2AMEN1MAPTSMN1; SMN2HTR1A
SCHEMBL13282462 0.89 KMT2A (0.35) KMT2AMEN1MAPTSMN1; SMN2HTR1A
SCHEMBL3604779 0.88 POLB (0.36) KMT2AMEN1MAPTSMN1; SMN2HTR1A
SCHEMBL3587922 0.87 MAPK1 (0.37) KMT2AHTR1ACACNA1CKCNJ1
SCHEMBL3596823 0.87 KMT2A (0.37) KMT2AMEN1MAPTSMN1; SMN2HTR1A
SCHEMBL3597045 0.85 KMT2A (0.36) KMT2AMEN1HTR1AKCNJ1FKBP1A
SCHEMBL3596567 0.85 MAPK1 (0.35) KMT2AMEN1MAPTSMN1; SMN2KCNJ1
SCHEMBL3593644 0.84 MAPK1 (0.35) KMT2AHTR1ACACNA1CKCNJ1

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 5 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
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 3628/4885FFAR4 56/4885

“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.