SCHEMBL4831289

SCHEMBL4831289

CCn1ncc(C=CC(=O)Nc2ccc(C(C)(C)P(=O)(O)O)cc2)c1-c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 3/20 0.41
CDK8 P49336 3/20 0.41
CDK19 Q9BWU1 1/20 0.41
MAOB P27338 1/20 0.41
LMNA P02545 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MMP1 P03956 2/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
GGPS1 O95749 2/20 0.36
EGFR P00533 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 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
SCHEMBL4831279 1.00 CCNC (0.41) CCNCCDK8CDK19MAOBLMNA
SCHEMBL4831324 0.90 MAOB (0.40) CCNCCDK8CDK19MAOBLMNA
SCHEMBL4831303 0.90 MAOB (0.40) CCNCCDK8CDK19MAOBLMNA
SCHEMBL4833879 0.89 MAOB (0.43) CCNCCDK8CDK19MAOBLMNA
SCHEMBL4833906 0.89 MAOB (0.43) CCNCCDK8CDK19MAOBLMNA
SCHEMBL27632025 0.86 MAOB (0.43) CCNCCDK8CDK19MAOBLMNA
SCHEMBL4833258 0.85 CCNC (0.44) CCNCCDK8CDK19LMNANPC1
SCHEMBL4833243 0.85 CCNC (0.44) CCNCCDK8CDK19LMNANPC1
SCHEMBL4833793 0.81 MAOB (0.43) CCNCCDK8MAOBLMNANPC1
SCHEMBL4833767 0.81 MAOB (0.43) CCNCCDK8MAOBLMNANPC1

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.