SCHEMBL4831079

SCHEMBL4831079

Cn1ncc(C=CC(=O)O)c1-c1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 4/20 0.49
CDK8 P49336 4/20 0.49
RAB9A P51151 7/20 0.44
NPC1 O15118 6/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 4/20 0.44
PTGS1 P23219 4/20 0.42
EPRS1 P07814 1/20 0.41
MAPT P10636 6/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 4/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
HCRTR1 O43613 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
SCHEMBL4831077 1.00 CCNC (0.49) CCNCCDK8RAB9ANPC1SMN1; SMN2
SCHEMBL4833248 0.87 CCNC (0.50) CCNCCDK8RAB9ANPC1SMN1; SMN2
SCHEMBL4833261 0.87 CCNC (0.50) CCNCCDK8RAB9ANPC1SMN1; SMN2
SCHEMBL4829098 0.87 PTGS1 (0.54) CCNCCDK8RAB9ANPC1SMN1; SMN2
SCHEMBL4829106 0.87 PTGS1 (0.54) CCNCCDK8RAB9ANPC1SMN1; SMN2
SCHEMBL4825815 0.86 CCNC (0.49) CCNCCDK8RAB9ANPC1SMN1; SMN2
SCHEMBL4825825 0.86 CCNC (0.49) CCNCCDK8RAB9ANPC1SMN1; SMN2
SCHEMBL4833832 0.86 CCNC (0.49) CCNCCDK8RAB9ANPC1SMN1; SMN2
SCHEMBL4826921 0.86 CCNC (0.49) CCNCCDK8RAB9ANPC1SMN1; SMN2
SCHEMBL4826934 0.86 CCNC (0.49) CCNCCDK8RAB9ANPC1SMN1; SMN2

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 2963/4885RAB9A 4059/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 CCNC 2548/4885CDK8 2963/4885RAB9A 4059/4885

“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.