SCHEMBL4829249

SCHEMBL4829249

Cn1ncc(C=CC(=O)Nc2ccc(CP(=O)(O)O)cc2)c1-c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.46
HDAC2 Q92769 10/20 0.46
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CCNC P24863 5/20 0.40
CDK8 P49336 5/20 0.40
CDK19 Q9BWU1 1/20 0.40
HDAC3 O15379 3/20 0.39
HDAC4 P56524 3/20 0.39
HDAC7 Q8WUI4 3/20 0.39
HDAC10 Q969S8 3/20 0.39
HDAC11 Q96DB2 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC9 Q9UKV0 3/20 0.39
HDAC5 Q9UQL6 3/20 0.39
HPSE Q9Y251 2/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 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
SCHEMBL4829237 1.00 HDAC1 (0.46) HDAC1HDAC2NPC1RAB9ASMN1; SMN2
SCHEMBL4833656 0.91 HDAC1 (0.44) HDAC1HDAC2CCNCCDK8CDK19
SCHEMBL4833642 0.91 HDAC1 (0.44) HDAC1HDAC2CCNCCDK8CDK19
SCHEMBL4834355 0.90 CCNC (0.44) NPC1RAB9ASMN1; SMN2CCNCCDK8
SCHEMBL4831171 0.90 CCNC (0.44) NPC1RAB9ASMN1; SMN2CCNCCDK8
SCHEMBL4831155 0.90 CCNC (0.44) NPC1RAB9ASMN1; SMN2CCNCCDK8
SCHEMBL4833435 0.90 HDAC1 (0.44) HDAC1HDAC2SMN1; SMN2CCNCCDK8
SCHEMBL4833418 0.90 HDAC1 (0.44) HDAC1HDAC2SMN1; SMN2CCNCCDK8
SCHEMBL4827118 0.90 CCNC (0.47) HDAC1HDAC2RAB9ACCNCCDK8
SCHEMBL4827126 0.90 CCNC (0.47) HDAC1HDAC2RAB9ACCNCCDK8

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 HDAC1 662/4885HDAC2 185/4885NPC1 1170/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 HDAC1 662/4885HDAC2 185/4885NPC1 1170/4885

“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.