SCHEMBL4833145

SCHEMBL4833145

Cn1ncc(/C=C/C(=O)Nc2ccc(OCc3nnco3)cc2)c1-c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 2/20 0.54
CDK8 P49336 2/20 0.54
CDK19 Q9BWU1 1/20 0.54
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE10A Q9Y233 1/20 0.37
POLB P06746 2/20 0.36
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MMP1 P03956 2/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
MAPK14 Q16539 1/20 0.35
IMPDH2 P12268 1/20 0.35
EGFR P00533 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL4833159 1.00 CCNC (0.54) CCNCCDK8CDK19RAB9ANPC1
SCHEMBL4826674 0.87 CCNC (0.61) CCNCCDK8CDK19RAB9ANPC1
SCHEMBL4826684 0.87 CCNC (0.61) CCNCCDK8CDK19RAB9ANPC1
SCHEMBL4833746 0.87 CCNC (0.41) CCNCCDK8CDK19RAB9ANPC1
SCHEMBL4833762 0.87 CCNC (0.41) CCNCCDK8CDK19RAB9ANPC1
SCHEMBL3486024 0.86 CCNC (0.72) CCNCCDK8CDK19RAB9ANPC1
SCHEMBL3486028 0.86 CCNC (0.72) CCNCCDK8CDK19RAB9ANPC1
SCHEMBL14874703 0.84 CCNC (0.76) CCNCCDK8CDK19
SCHEMBL14874704 0.84 CCNC (0.76) CCNCCDK8CDK19
SCHEMBL4829203 0.81 PDE10A (0.43) CCNCCDK8CDK19RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 US disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 US disclosed
EP-1556032-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY Takeda Pharmaceutical Company Limited (JP) 2005-07-27 EP disclosed
WO-2004039365-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 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 (2 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-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 CCNC 2548/4885CDK8 2963/4885CDK19 2585/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 CCNC 2548/4885CDK8 2963/4885CDK19 2585/4885

“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.