SCHEMBL4834307

SCHEMBL4834307

Cn1ncc(/C=C/C(=O)Nc2ccc(C(C)(C)P(=O)(O)O)cc2)c1-c1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.43
HDAC2 Q92769 7/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
MAPT P10636 4/20 0.38
LMNA P02545 3/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
TRPV1 Q8NER1 2/20 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
SCHEMBL4834323 1.00 HDAC1 (0.43) HDAC1HDAC2NPC1RAB9ASMN1; SMN2
SCHEMBL4834031 0.91 HDAC1 (0.41) HDAC1HDAC2NPC1SMN1; SMN2CCNC
SCHEMBL4834055 0.91 HDAC1 (0.41) HDAC1HDAC2NPC1SMN1; SMN2CCNC
SCHEMBL4833767 0.90 MAOB (0.43) NPC1RAB9ASMN1; SMN2CCNCCDK8
SCHEMBL4834633 0.90 HDAC1 (0.42) HDAC1HDAC2NPC1RAB9ASMN1; SMN2
SCHEMBL4833793 0.90 MAOB (0.43) NPC1RAB9ASMN1; SMN2CCNCCDK8
SCHEMBL4833906 0.90 MAOB (0.43) NPC1RAB9ASMN1; SMN2CCNCCDK8
SCHEMBL4833879 0.90 MAOB (0.43) NPC1RAB9ASMN1; SMN2CCNCCDK8
SCHEMBL4834608 0.90 HDAC1 (0.42) HDAC1HDAC2NPC1RAB9ASMN1; SMN2
SCHEMBL4834023 0.90 CCNC (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 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.