SCHEMBL3129936

SCHEMBL3129936

CCCCOc1cc(N(Cc2cccnc2)c2ccc(C(=O)OC(C)(C)C)cc2)ccc1OC(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
PDE4D Q08499 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4A P27815 2/20 0.38
PDE4C Q08493 2/20 0.38
HDAC6 Q9UBN7 1/20 0.37
RXRA P19793 3/20 0.37
GRM2 Q14416 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALOX5 P09917 1/20 0.36
PPARG P37231 1/20 0.36
PSEN1 P49768 1/20 0.36
MAPT P10636 3/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL3201568 0.94 GRM2 (0.40) KMT2APDE4DPDE4BPDE4APDE4C
SCHEMBL3120607 0.93 PDE4B (0.39) KMT2APDE4DPDE4BPDE4APDE4C
SCHEMBL4201416 0.92 PDE4B (0.41) KMT2APDE4DPDE4BPDE4APDE4C
SCHEMBL3128977 0.89 ALDH1A1 (0.43) KMT2APDE4DPDE4BPDE4APDE4C
SCHEMBL3132918 0.89 RXRA (0.45) KMT2APDE4DPDE4BPDE4APDE4C
SCHEMBL3214843 0.88 GRM2 (0.41) KMT2APDE4DPDE4BPDE4APDE4C
SCHEMBL3131819 0.87 PDE4D (0.53) PDE4DPDE4BPDE4APDE4C
SCHEMBL3125310 0.86 GRM2 (0.40) KMT2APDE4DPDE4BPDE4APDE4C
SCHEMBL3122772 0.85 HDAC6 (0.39) PDE4DPDE4BPDE4APDE4CHDAC6
SCHEMBL4196553 0.85 GRM2 (0.40) KMT2APDE4DPDE4BPDE4APDE4C

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-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US disclosed
WO-2010003084-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 WO 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-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE3B KMT2A 1324/4885PDE4D 9/4885PDE4B 2/4885

“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.