SCHEMBL6070203

SCHEMBL6070203

CCOC(=O)c1c(C)nn(-c2ccc([N+](=O)[O-])cn2)c1C

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.63
PDE4B Q07343 2/20 0.63
MAPT P10636 5/20 0.60
KDM4E B2RXH2 2/20 0.60
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
AR P10275 5/20 0.48
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC34A1 Q06495 1/20 0.45
P2RY12 Q9H244 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
MITF O75030 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL5801416 0.81 PDE4D (0.69) PDE4DPDE4BMAPTKDM4ENPC1
SCHEMBL30583450 0.77 PDE4D (1.00) PDE4DPDE4BNPC1RAB9AAR
SCHEMBL2201643 0.77 PDE4D (1.00) PDE4DPDE4BNPC1RAB9AAR
SCHEMBL13920723 0.76 MAPT (0.49) MAPTKDM4ENPC1RAB9AAR
SCHEMBL123446 0.76 PDE4D (0.67) PDE4DPDE4BMAPTKDM4ENPC1
SCHEMBL6070168 0.74 PDE4B (0.67) PDE4DPDE4BMAPTKDM4ENPC1
SCHEMBL9369901 0.74 MAPT (0.53) MAPTKDM4ENPC1RAB9AAR
SCHEMBL6070326 0.74 PKM (0.62) PDE4DPDE4BMAPTKDM4ENPC1
SCHEMBL3313819 0.73 MAPT (0.60) MAPTKDM4ENPC1RAB9AAR
SCHEMBL3269737 0.73 PDE4D (0.56) PDE4DPDE4BMAPTKDM4ESLC34A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030236412-A1 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION 2003-12-25 US claimed
US-7087634-B2 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION (US) 2006-08-08 US disclosed
US-20030236412-A1 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION 2003-12-25 US disclosed
US-6569885-B1 Such as 1-(4-bromophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid ethyl ester; side effect reduction; for treatment of central nervous system disorders ICOS CORPORATION 2003-05-27 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-20030236412-A1 Cyclic AMP-specific phosphodiesterase inhibitors PDE4A, PDE4B, PDE7A PDE4D 5/4885PDE4B 2/4885MAPT 2234/4885

“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.