SCHEMBL4829378

SCHEMBL4829378

Cn1ncc(/C=C/C(=O)Nc2ccc(Cn3nnc4ccccc43)cc2)c1-c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GRM2 Q14416 4/20 0.46
CCNC P24863 4/20 0.41
CDK8 P49336 4/20 0.41
CDK19 Q9BWU1 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.41
DOT1L Q8TEK3 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
USP2 O75604 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL4829388 1.00 LMNA (0.47) LMNAKDM4ETP53HSD17B10GRM2
SCHEMBL4833654 0.87 BRD4 (0.42) KDM4ECCNCCDK8CDK19RAB9A
SCHEMBL4833668 0.87 BRD4 (0.42) KDM4ECCNCCDK8CDK19RAB9A
SCHEMBL4829229 0.86 CCNC (0.45) LMNAKDM4ECCNCCDK8CDK19
SCHEMBL4829220 0.86 CCNC (0.45) LMNAKDM4ECCNCCDK8CDK19
SCHEMBL966357 0.85 CCNC (0.46) LMNAGRM2CCNCCDK8CDK19
SCHEMBL966355 0.85 CCNC (0.46) LMNAGRM2CCNCCDK8CDK19
SCHEMBL4834441 0.84 GRM2 (0.46) LMNAKDM4EGRM2CCNCCDK8
SCHEMBL4834431 0.84 GRM2 (0.46) LMNAKDM4EGRM2CCNCCDK8
SCHEMBL4826330 0.83 CCNC (0.49) CCNCCDK8CDK19

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 3 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

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 LMNA 2405/4885KDM4E 4406/4885TP53 4623/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 LMNA 2405/4885KDM4E 4406/4885TP53 4623/4885

“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.