SCHEMBL4893773

SCHEMBL4893773

N#Cc1ccc(NNC(=O)c2ccc(CNCc3ccccc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
MAOA P21397 1/20 0.49
PTGS2 P35354 4/20 0.49
EPHX2 P34913 1/20 0.48
SIGMAR1 Q99720 2/20 0.46
TMEM97 Q5BJF2 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
NPC1 O15118 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CTNNB1 P35222 1/20 0.46
TCF7L2 Q9NQB0 1/20 0.46
RAB9A P51151 1/20 0.46
NAMPT P43490 1/20 0.46
GAA P10253 3/20 0.45
ALDH1A1 P00352 2/20 0.45

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
SCHEMBL4749020 0.86 HDAC6 (0.66) HDAC8HDAC6PTGS2HDAC3HDAC1
SCHEMBL9785874 0.85 PTGS2 (0.68) MAOAPTGS2EPHX2NPC1MEN1
SCHEMBL4893276 0.83 ALDH1A1 (0.66) HDAC8HDAC6PTGS2HDAC3HDAC1
SCHEMBL4888218 0.81 HDAC3 (0.56) HDAC8HDAC6MAOAPTGS2HDAC3
SCHEMBL4896607 0.80 RAB9A (0.64) HDAC8HDAC6PTGS2HDAC3HDAC1
SCHEMBL8897410 0.78 LOXL2 (0.61) MAOAMEN1KMT2AKDM4EMAPT
SCHEMBL11681204 0.78 ALDH1A1 (0.55) PTGS2NPC1MEN1KMT2ARAB9A
SCHEMBL14502129 0.78 EPHX2 (0.69) HDAC8HDAC6MAOAEPHX2SIGMAR1
SCHEMBL4899259 0.77 PTGS2 (0.60) HDAC8HDAC6PTGS2NPC1MEN1
SCHEMBL4896662 0.77 EPHX2 (0.52) HDAC8HDAC6PTGS2EPHX2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
WO-2008112156-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2008-09-18 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 (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-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 HDAC8 2165/4885HDAC6 1039/4885MAOA 4521/4885

“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.