SCHEMBL13033202

SCHEMBL13033202

COCCCCNCCCCC(=O)NC(Cc1ccccc1)C(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSG P08311 1/20 0.51
CMA1 P23946 1/20 0.51
CHRNB2 P17787 1/20 0.51
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
CHRNA4 P43681 1/20 0.51
HDAC1 Q13547 5/20 0.50
HDAC6 Q9UBN7 5/20 0.50
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
PSMB5 P28074 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48

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
SCHEMBL8466442 0.84 FAAH (0.62) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL9218164 0.84 FAAH (0.62) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL8467166 0.84 FAAH (0.62) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL2628428 0.83 HDAC1 (0.60) CTSGCMA1HDAC1HDAC6HDAC3
SCHEMBL8135959 0.81 ACE (0.59) HDAC1HDAC6PSMB5
SCHEMBL13033198 0.81 KDM4E (0.47) KDM4EMEN1NPC1LMNAKMT2A
SCHEMBL13033201 0.81 HPGD (0.49) HDAC1HDAC6KDM4EMEN1NPC1
SCHEMBL9575948 0.80 HDAC1 (0.60) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL16770417 0.79 ALDH1A1 (0.55) CTSGCMA1HDAC1HDAC6PSMB5
SCHEMBL8675408 0.78 HDAC1 (0.57) HDAC1HDAC6HDAC3HDAC4HDAC7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286035-A1 NEUROMEDIN U DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-11 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 (1 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-20100286035-A1 NEUROMEDIN U DERIVATIVE NMUR1, NMUR2, NMBR CTSG 3287/4885CMA1 1988/4885CHRNB2 951/4885

“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.