SCHEMBL4826013

SCHEMBL4826013

CCCCOP(=O)(Cc1ccc(NC(=O)/C=C/c2cnn(C)c2-c2ccc(F)cc2)cc1)OCCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 7/20 0.39
CDK8 P49336 7/20 0.39
CDK19 Q9BWU1 2/20 0.39
XBP1 P17861 1/20 0.36
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
FAAH O00519 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
S1PR2 O95136 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
BTK Q06187 1/20 0.35
GRM5 P41594 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
SCHEMBL4829084 0.91 BTK (0.41) CCNCCDK8CDK19KDM4ENPC1
SCHEMBL1060125 0.91 BTK (0.41) CCNCCDK8CDK19KDM4ENPC1
SCHEMBL4833889 0.88 CCNC (0.42) CCNCCDK8CDK19KMT2ANPC1
SCHEMBL4831155 0.85 CCNC (0.44) CCNCCDK8CDK19NPC1LMNA
SCHEMBL4834355 0.85 CCNC (0.44) CCNCCDK8CDK19NPC1LMNA
SCHEMBL4831171 0.85 CCNC (0.44) CCNCCDK8CDK19NPC1LMNA
SCHEMBL4834883 0.84 HDAC1 (0.46) KDM4EMEN1MAPTKMT2ANPC1
SCHEMBL4834214 0.84 HDAC1 (0.46) KDM4EMEN1MAPTKMT2ANPC1
SCHEMBL4829197 0.84 HDAC1 (0.41) CCNCCDK8CDK19KDM4EMEN1
SCHEMBL4834135 0.83 CCNC (0.44) CCNCCDK8CDK19KDM4ENPC1

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 3 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

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.