SCHEMBL4833758

SCHEMBL4833758

Cn1ncc(C=CC(=O)Nc2ccc(Cn3cc4ccccc4n3)cc2)c1-c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.44
CCNC P24863 11/20 0.43
CDK8 P49336 11/20 0.43
CDK19 Q9BWU1 2/20 0.41
HDAC6 Q9UBN7 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.39
EGFR P00533 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39

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
SCHEMBL4833742 1.00 HDAC2 (0.44) HDAC2CCNCCDK8CDK19HDAC6
SCHEMBL4829220 0.88 CCNC (0.45) HDAC2CCNCCDK8CDK19SMN1; SMN2
SCHEMBL4829229 0.88 CCNC (0.45) HDAC2CCNCCDK8CDK19SMN1; SMN2
SCHEMBL964368 0.84 KLKB1 (0.48) HDAC2CCNCCDK8CDK19HDAC6
SCHEMBL964371 0.84 KLKB1 (0.48) HDAC2CCNCCDK8CDK19HDAC6
SCHEMBL4833654 0.84 BRD4 (0.42) HDAC2CCNCCDK8CDK19SMN1; SMN2
SCHEMBL4833668 0.84 BRD4 (0.42) HDAC2CCNCCDK8CDK19SMN1; SMN2
SCHEMBL4831386 0.83 EGFR (0.48) HDAC2CCNCCDK8CDK19SMN1; SMN2
SCHEMBL4826330 0.83 CCNC (0.49) CCNCCDK8CDK19EGFRMMP1
SCHEMBL4826317 0.83 CCNC (0.49) CCNCCDK8CDK19EGFRMMP1

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 HDAC2 185/4885CCNC 2548/4885CDK8 2963/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 HDAC2 185/4885CCNC 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.