SCHEMBL4829178

SCHEMBL4829178

CCOP(=O)(Cc1ccc(NC(=O)/C=C/c2cnn(C)c2-c2ccc(Br)cc2)cc1)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.42
HDAC2 Q92769 8/20 0.42
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 3/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BTK Q06187 2/20 0.38
CCNC P24863 4/20 0.38
CDK8 P49336 4/20 0.38
CDK19 Q9BWU1 1/20 0.38
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC10 Q969S8 1/20 0.36

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
SCHEMBL4829197 0.92 HDAC1 (0.41) HDAC1HDAC2SMN1; SMN2MEN1MAPT
SCHEMBL1060125 0.91 BTK (0.41) NPC1RAB9ASMN1; SMN2LMNABTK
SCHEMBL4829084 0.91 BTK (0.41) NPC1RAB9ASMN1; SMN2LMNABTK
SCHEMBL4834303 0.91 HDAC1 (0.42) HDAC1HDAC2NPC1RAB9ASMN1; SMN2
SCHEMBL4834311 0.91 HDAC1 (0.45) HDAC1HDAC2NPC1RAB9ASMN1; SMN2
SCHEMBL4829174 0.91 CCNC (0.43) HDAC1HDAC2RAB9AMEN1MAPT
SCHEMBL4834883 0.90 HDAC1 (0.46) HDAC1HDAC2NPC1RAB9ASMN1; SMN2
SCHEMBL4834214 0.90 HDAC1 (0.46) HDAC1HDAC2NPC1RAB9ASMN1; SMN2
SCHEMBL4829248 0.89 FLT1 (0.41) HDAC1BTKCCNCCDK8CDK19
SCHEMBL4829237 0.88 HDAC1 (0.46) HDAC1HDAC2NPC1RAB9ASMN1; 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 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.