SCHEMBL4831260

SCHEMBL4831260

Cn1ncc(/C=C/C(=O)Nc2ccc(CSC(C)(C)C)cc2)c1-c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNC P24863 9/20 0.43
CDK8 P49336 9/20 0.43
CDK19 Q9BWU1 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.39
MMP1 P03956 2/20 0.38
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
EGFR P00533 1/20 0.38
MAOB P27338 1/20 0.38
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
HPSE Q9Y251 2/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL4831270 1.00 CCNC (0.43) CCNCCDK8CDK19SMN1; SMN2MMP1
SCHEMBL4836847 0.89 CCNC (0.45) CCNCCDK8CDK19SMN1; SMN2MMP1
SCHEMBL4836835 0.89 CCNC (0.45) CCNCCDK8CDK19SMN1; SMN2MMP1
SCHEMBL4836602 0.88 CCNC (0.43) CCNCCDK8CDK19SMN1; SMN2MMP1
SCHEMBL4836600 0.88 CCNC (0.43) CCNCCDK8CDK19SMN1; SMN2MMP1
SCHEMBL4833838 0.87 CCNC (0.45) CCNCCDK8CDK19SMN1; SMN2MMP1
SCHEMBL4833829 0.87 CCNC (0.45) CCNCCDK8CDK19SMN1; SMN2MMP1
SCHEMBL4828898 0.87 CCNC (0.44) CCNCCDK8CDK19SMN1; SMN2MMP1
SCHEMBL4828908 0.87 CCNC (0.44) CCNCCDK8CDK19SMN1; SMN2MMP1
SCHEMBL4831457 0.86 CCNC (0.49) CCNCCDK8CDK19SMN1; SMN2MMP1

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 2963/4885CDK19 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.