SCHEMBL4831324

SCHEMBL4831324

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.40
CCNC P24863 5/20 0.39
CDK8 P49336 5/20 0.39
CDK19 Q9BWU1 2/20 0.39
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE4B Q07343 1/20 0.36
GGPS1 O95749 2/20 0.36
MMP1 P03956 2/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
EGFR P00533 1/20 0.36
SNCA P37840 2/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL4831303 1.00 MAOB (0.40) MAOBCCNCCDK8CDK19NPC1
SCHEMBL4829079 0.91 MAOB (0.41) MAOBCCNCCDK8CDK19NPC1
SCHEMBL1060129 0.91 MAOB (0.41) MAOBCCNCCDK8CDK19NPC1
SCHEMBL4830990 0.91 MAOB (0.41) MAOBCCNCCDK8CDK19NPC1
SCHEMBL4831289 0.90 CCNC (0.41) MAOBCCNCCDK8CDK19NPC1
SCHEMBL4831279 0.90 CCNC (0.41) MAOBCCNCCDK8CDK19NPC1
SCHEMBL4826898 0.90 CCNC (0.39) MAOBCCNCCDK8CDK19LMNA
SCHEMBL4826913 0.90 CCNC (0.39) MAOBCCNCCDK8CDK19LMNA
SCHEMBL27632025 0.87 MAOB (0.43) MAOBCCNCCDK8CDK19NPC1
SCHEMBL4833258 0.85 CCNC (0.44) CCNCCDK8CDK19NPC1LMNA

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 MAOB 881/4885CCNC 2548/4885CDK8 2963/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 MAOB 881/4885CCNC 2548/4885CDK8 2963/4885

“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.