SCHEMBL4831457

SCHEMBL4831457

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNC P24863 9/20 0.49
CDK8 P49336 9/20 0.49
CDK19 Q9BWU1 2/20 0.49
MMP1 P03956 3/20 0.43
MMP2 P08253 3/20 0.43
MMP9 P14780 3/20 0.43
EGFR P00533 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPSE Q9Y251 2/20 0.40
GRM5 P41594 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAOB P27338 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
SCHEMBL4831468 1.00 CCNC (0.49) CCNCCDK8CDK19MMP1MMP2
SCHEMBL4836704 0.92 CCNC (0.51) CCNCCDK8CDK19MMP1MMP2
SCHEMBL4836714 0.92 CCNC (0.51) CCNCCDK8CDK19MMP1MMP2
SCHEMBL4828991 0.91 CCNC (0.46) CCNCCDK8CDK19MMP1MMP2
SCHEMBL4828998 0.91 CCNC (0.46) CCNCCDK8CDK19MMP1MMP2
SCHEMBL4826394 0.90 HPSE (0.49) CCNCCDK8CDK19MMP1MMP2
SCHEMBL4834068 0.90 CCNC (0.45) CCNCCDK8CDK19MMP1MMP2
SCHEMBL4826399 0.90 HPSE (0.49) CCNCCDK8CDK19MMP1MMP2
SCHEMBL4834076 0.90 CCNC (0.45) CCNCCDK8CDK19MMP1MMP2
SCHEMBL4831386 0.89 EGFR (0.48) 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 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.