SCHEMBL4829174

SCHEMBL4829174

CCOP(=O)(Cc1ccc(NC(=O)/C=C/c2cnn(C)c2-c2ccccc2)cc1)OCC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNC P24863 5/20 0.43
CDK8 P49336 5/20 0.43
NPY5R Q15761 1/20 0.41
BTK Q06187 2/20 0.41
EGFR P00533 1/20 0.41
HDAC1 Q13547 5/20 0.40
HDAC2 Q92769 5/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
CDK19 Q9BWU1 1/20 0.39
PTGS1 P23219 1/20 0.39
ROCK1 Q13464 1/20 0.38
PKM P14618 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
SCHEMBL4829197 0.92 HDAC1 (0.41) CCNCCDK8BTKEGFRHDAC1
SCHEMBL4829228 0.91 NAMPT (0.43) CCNCCDK8BTKRAB9AKMT2A
SCHEMBL4829212 0.91 NAMPT (0.43) CCNCCDK8BTKRAB9AKMT2A
SCHEMBL1060125 0.91 BTK (0.41) CCNCCDK8NPY5RBTKEGFR
SCHEMBL4829178 0.91 HDAC1 (0.42) CCNCCDK8BTKHDAC1HDAC2
SCHEMBL4834303 0.91 HDAC1 (0.42) CCNCCDK8BTKHDAC1HDAC2
SCHEMBL4829084 0.91 BTK (0.41) CCNCCDK8NPY5RBTKEGFR
SCHEMBL4834010 0.91 CCNC (0.45) CCNCCDK8EGFRHDAC1HDAC2
SCHEMBL4834883 0.90 HDAC1 (0.46) EGFRHDAC1HDAC2MEN1MAPT
SCHEMBL4834214 0.90 HDAC1 (0.46) EGFRHDAC1HDAC2MEN1MAPT

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 2963/4885NPY5R 513/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 CCNC 2548/4885CDK8 2963/4885NPY5R 513/4885

“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.