SCHEMBL4834220

SCHEMBL4834220

Cn1ncc(C=CC(=O)Nc2ccc(Cn3cnnn3)cc2)c1-c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
RAB9A P51151 1/20 0.46
CCNC P24863 14/20 0.43
CDK8 P49336 14/20 0.43
CDK19 Q9BWU1 2/20 0.43
ATM Q13315 1/20 0.41
RCE1 Q9Y256 1/20 0.41
HDAC2 Q92769 1/20 0.40
F11 P03951 1/20 0.40
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 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
SCHEMBL4834210 1.00 ALDH1A1 (0.55) ALDH1A1RAB9ACCNCCDK8CDK19
SCHEMBL4825916 0.88 CCNC (0.45) ALDH1A1CCNCCDK8CDK19HDAC2
SCHEMBL4825927 0.88 CCNC (0.45) ALDH1A1CCNCCDK8CDK19HDAC2
SCHEMBL4831327 0.86 CCNC (0.46) CCNCCDK8CDK19HDAC2
SCHEMBL4831313 0.86 CCNC (0.46) CCNCCDK8CDK19HDAC2
SCHEMBL964371 0.86 KLKB1 (0.48) CCNCCDK8CDK19HDAC2
SCHEMBL964368 0.86 KLKB1 (0.48) CCNCCDK8CDK19HDAC2
SCHEMBL4829438 0.85 CCNC (0.44) CCNCCDK8CDK19HDAC2MMP1
SCHEMBL4829430 0.85 CCNC (0.44) CCNCCDK8CDK19HDAC2MMP1
SCHEMBL4826330 0.85 CCNC (0.49) CCNCCDK8CDK19MMP1MMP2

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 ALDH1A1 2652/4885RAB9A 4059/4885CCNC 2548/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 ALDH1A1 2652/4885RAB9A 4059/4885CCNC 2548/4885

“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.