SCHEMBL4833418

SCHEMBL4833418

Cn1ncc(/C=C/C(=O)Nc2ccc(CP(=O)(O)O)cc2)c1-c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.44
HDAC2 Q92769 4/20 0.44
HTR2A P28223 2/20 0.44
CHRM1 P11229 1/20 0.44
MCHR1 Q99705 1/20 0.44
CCNC P24863 6/20 0.42
CDK8 P49336 6/20 0.42
CDK19 Q9BWU1 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
FLT1 P17948 1/20 0.41
KDR P35968 1/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 3/20 0.40
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
EGFR P00533 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40

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
SCHEMBL4833435 1.00 HDAC1 (0.44) HDAC1HDAC2HTR2ACHRM1MCHR1
SCHEMBL4833642 0.91 HDAC1 (0.44) HDAC1HDAC2CCNCCDK8CDK19
SCHEMBL4833656 0.91 HDAC1 (0.44) HDAC1HDAC2CCNCCDK8CDK19
SCHEMBL4831155 0.90 CCNC (0.44) CCNCCDK8CDK19LMNASMN1; SMN2
SCHEMBL4834355 0.90 CCNC (0.44) CCNCCDK8CDK19LMNASMN1; SMN2
SCHEMBL4831171 0.90 CCNC (0.44) CCNCCDK8CDK19LMNASMN1; SMN2
SCHEMBL4829237 0.90 HDAC1 (0.46) HDAC1HDAC2CCNCCDK8CDK19
SCHEMBL4829249 0.90 HDAC1 (0.46) HDAC1HDAC2CCNCCDK8CDK19
SCHEMBL4827118 0.90 CCNC (0.47) HDAC1HDAC2CCNCCDK8CDK19
SCHEMBL4827126 0.90 CCNC (0.47) HDAC1HDAC2CCNCCDK8CDK19

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 HDAC1 662/4885HDAC2 185/4885HTR2A 906/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 HDAC1 662/4885HDAC2 185/4885HTR2A 906/4885

“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.