SCHEMBL3592815

SCHEMBL3592815

COc1cc(CCC(=O)O)cc(OC)c1OC1CN(CC(O)(c2cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
CRHBP P24387 1/20 0.33
HTT P42858 1/20 0.33
CRHR2 Q13324 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
P2RX7 Q99572 1/20 0.33
MAPK1 P28482 1/20 0.33
KCNJ1 P48048 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PLA2G4A P47712 1/20 0.32
PGR P06401 1/20 0.32
CHRM2 P08172 1/20 0.32
ABCB1 P08183 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
SCHEMBL3598135 0.95 MAPT (0.35) KMT2AMAPTLMNAMEN1GAA
SCHEMBL3587922 0.93 MAPK1 (0.37) KMT2AMAPK1KCNJ1PGRCHRM2
SCHEMBL3596567 0.91 MAPK1 (0.35) KMT2AMAPTMEN1GAACRHBP
SCHEMBL3593644 0.90 MAPK1 (0.35) KMT2AMAPK1KCNJ1PGRCHRM2
SCHEMBL13254362 0.90 MAPK1 (0.36) KMT2AMAPK1KCNJ1PGRCHRM2
SCHEMBL3591626 0.88 ACHE (0.38) KMT2AMEN1MAPK1BCHEACHE
SCHEMBL3589591 0.87 MAPK1 (0.35) KMT2AMAPTGAASMN1; SMN2MAPK1
SCHEMBL13254387 0.87 SIGMAR1 (0.38) KMT2ALMNAMEN1MAPK1ALDH1A1
SCHEMBL3586655 0.86 BCHE (0.38) KMT2ALMNAMEN1HTTSMN1; SMN2
SCHEMBL3594858 0.86 PLA2G4A (0.34) KMT2ALMNAMEN1P2RX7MAPK1

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 3 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

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 4721/4885MAPT 4708/4885LMNA 4335/4885

“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.