SCHEMBL3600985

SCHEMBL3600985

CCOC(=O)CCc1cc(OC)c(OC2CCN(CC(O)(c3cn(Cc4ccccc4)c4cc(C(=O)N(C)C)ccc34)C(F)(F)F)CC2)c(OC)c1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.33
ACHE P22303 3/20 0.33
CNR2 P34972 1/20 0.33
KMT2A Q03164 3/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
OPRD1 P41143 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ABCB1 P08183 1/20 0.32
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 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
SCHEMBL3599714 0.95 BCHE (0.33) BCHEACHECNR2KMT2ATP53
SCHEMBL3602675 0.94 BCHE (0.35) BCHEACHECNR2KMT2ATP53
SCHEMBL3581750 0.93 ACHE (0.35) BCHEACHECNR2KMT2ATP53
SCHEMBL3597752 0.93 OPRK1 (0.37) BCHEACHECNR2TP53MAPT
SCHEMBL3589109 0.92 CNR2 (0.36) BCHEACHECNR2KMT2ATP53
SCHEMBL3598870 0.90 CPT1A (0.39) BCHEACHECNR2LMNASMN1; SMN2
SCHEMBL3583220 0.90 EPHX2 (0.37) BCHEACHEMAPTOPRD1LMNA
SCHEMBL3597321 0.89 ALDH1A1 (0.35) BCHEACHEKMT2AMAPTLMNA
SCHEMBL3590798 0.88 USP14 (0.34) BCHEACHEKMT2ASIGMAR1MEN1
SCHEMBL13254254 0.88 BCHE (0.34) BCHEACHECNR2KMT2ASIGMAR1

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 2 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
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 BCHE 3002/4885ACHE 3194/4885CNR2 1364/4885

“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.