SCHEMBL4829196

SCHEMBL4829196

CCC(CC)(c1ccc(NC(=O)C=Cc2cnn(C)c2-c2ccc(Br)cc2)cc1)P(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.41
HDAC2 Q92769 7/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 4/20 0.37
CCNC P24863 3/20 0.37
CDK8 P49336 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CDK19 Q9BWU1 1/20 0.37
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
MCHR1 Q99705 1/20 0.35
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL4829168 1.00 HDAC1 (0.41) HDAC1HDAC2NPC1RAB9ASMN1; SMN2
SCHEMBL4829207 0.92 HDAC1 (0.39) HDAC1HDAC2SMN1; SMN2MAPTCCNC
SCHEMBL4829186 0.92 HDAC1 (0.39) HDAC1HDAC2SMN1; SMN2MAPTCCNC
SCHEMBL1060129 0.91 MAOB (0.41) NPC1RAB9ASMN1; SMN2CCNCCDK8
SCHEMBL4829260 0.91 FLT1 (0.42) NPC1RAB9ASMN1; SMN2LMNAHTR2A
SCHEMBL4829241 0.91 FLT1 (0.42) NPC1RAB9ASMN1; SMN2LMNAHTR2A
SCHEMBL4830990 0.91 MAOB (0.41) NPC1RAB9ASMN1; SMN2CCNCCDK8
SCHEMBL4829079 0.91 MAOB (0.41) NPC1RAB9ASMN1; SMN2CCNCCDK8
SCHEMBL4834314 0.91 MAPT (0.41) HDAC1HDAC2NPC1RAB9ASMN1; SMN2
SCHEMBL4834295 0.91 MAPT (0.41) 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.