SCHEMBL4834023

SCHEMBL4834023

Cn1ncc(C=CC(=O)Nc2ccc(C(C)(C)P(=O)(O)O)cc2)c1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46
TRPV1 Q8NER1 1/20 0.43
PKM P14618 1/20 0.40
ROCK1 Q13464 1/20 0.40
RAB9A P51151 6/20 0.40
MAPT P10636 5/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
PTGS1 P23219 1/20 0.39
MAOB P27338 2/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC2 Q92769 3/20 0.38
NPC1 O15118 5/20 0.38
EGFR P00533 1/20 0.38

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
SCHEMBL4834003 1.00 CCNC (0.46) CCNCCDK8TRPV1PKMROCK1
SCHEMBL4834055 0.91 HDAC1 (0.41) CCNCCDK8TRPV1MAPTMEN1
SCHEMBL4834031 0.91 HDAC1 (0.41) CCNCCDK8TRPV1MAPTMEN1
SCHEMBL4834323 0.90 HDAC1 (0.43) CCNCCDK8TRPV1RAB9AMAPT
SCHEMBL4834307 0.90 HDAC1 (0.43) CCNCCDK8TRPV1RAB9AMAPT
SCHEMBL4833793 0.90 MAOB (0.43) CCNCCDK8RAB9AMAPTMEN1
SCHEMBL4833767 0.90 MAOB (0.43) CCNCCDK8RAB9AMAPTMEN1
SCHEMBL4833879 0.90 MAOB (0.43) CCNCCDK8RAB9AMAPTMEN1
SCHEMBL4833906 0.90 MAOB (0.43) CCNCCDK8RAB9AMAPTMEN1
SCHEMBL4834608 0.90 HDAC1 (0.42) CCNCCDK8PKMRAB9AMAPT

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 2963/4885TRPV1 159/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 CCNC 2548/4885CDK8 2963/4885TRPV1 159/4885

“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.