SCHEMBL3125802

SCHEMBL3125802

CCOc1cc(N(Cc2cncs2)c2ccc(C(=O)OC(C)(C)C)cc2)ccc1OC(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.39
HDAC6 Q9UBN7 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.35
KDM4E B2RXH2 2/20 0.35
GLA P06280 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PDE4D Q08499 4/20 0.33
PDE4B Q07343 5/20 0.33
RXRA P19793 3/20 0.33
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
PDE4A P27815 2/20 0.32
PDE4C Q08493 2/20 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
SCHEMBL3126060 0.94 HDAC6 (0.37) RAB9AHDAC6HRH4TRPM8PDE4D
SCHEMBL3122772 0.93 HDAC6 (0.39) RAB9AHDAC6TRPM8PDE4DPDE4B
SCHEMBL3201201 0.93 HRH4 (0.36) RAB9AHDAC6HRH4LMNAMEN1
SCHEMBL3218540 0.92 RXRA (0.40) RAB9AHDAC6HRH4MAPTMAPK1
SCHEMBL3201995 0.92 HRH4 (0.39) RAB9AHDAC6HRH4KMT2AMAPK1
SCHEMBL3129127 0.91 POLB (0.36) RAB9AHDAC6LMNAMEN1KMT2A
SCHEMBL3202717 0.91 RXRA (0.36) HDAC6PDE4DPDE4BRXRARXRB
SCHEMBL3215114 0.90 HDAC6 (0.36) RAB9AHDAC6LMNAMEN1KMT2A
SCHEMBL3205815 0.90 HRH4 (0.38) HDAC6HRH4KMT2AMAPTMAPK1
SCHEMBL3193270 0.90 PDE4B (0.45) PDE4DPDE4BPDE4APDE4CABCB11

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 RAB9A 2160/4885HDAC6 329/4885HRH4 442/4885

“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.