SCHEMBL4890167

SCHEMBL4890167

CN(NC(=O)c1ccc(CN)cc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.51
HDAC3 O15379 2/20 0.51
NCOR2 Q9Y618 2/20 0.51
HDAC1 Q13547 8/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.46
HTT P42858 2/20 0.46
KMT2A Q03164 2/20 0.46
KCNK3 O14649 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL4896664 0.84 HDAC6 (0.60) HDAC6HDAC3NCOR2HDAC1HDAC2
SCHEMBL11369151 0.84 TDP1 (0.59) HDAC6HDAC3NCOR2HDAC1HDAC2
SCHEMBL29094949 0.79 KDM4E (0.50) HTTKMT2AKCNK3TDP1L3MBTL1
SCHEMBL4896713 0.77 KMT2A (0.45) HDAC6HDAC3NCOR2HDAC1HDAC2
SCHEMBL14004867 0.75 HDAC1 (0.55) HDAC6HDAC1HTTKMT2AL3MBTL1
SCHEMBL14005203 0.74 KMT2A (0.53) HDAC6HDAC8HTTKMT2AL3MBTL1
SCHEMBL6677659 0.72 PTPN1 (0.65) HDAC6HDAC3NCOR2HDAC1HDAC2
Trimethylammonium SCHEMBL27729915 0.72 HPGD (0.55) HDAC6HDAC3NCOR2LOXL2HTT
SCHEMBL506656 0.71 HDAC6 (0.70) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL2643238 0.71 PLK1 (0.68) HDAC6HDAC3NCOR2HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
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 HDAC6 1039/4885HDAC3 1391/4885NCOR2 407/4885

“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.