SCHEMBL4896607

SCHEMBL4896607

CC(C)c1ccc(NNC(=O)c2ccc(CNCc3ccccc3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.64
NPC1 O15118 4/20 0.64
HDAC6 Q9UBN7 2/20 0.54
HDAC8 Q9BY41 1/20 0.54
ALDH1A1 P00352 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
GAA P10253 3/20 0.51
LMNA P02545 2/20 0.51
POLB P06746 1/20 0.51
AGTR1 P30556 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PTGS2 P35354 5/20 0.50
HDAC1 Q13547 3/20 0.49
HDAC3 O15379 2/20 0.49
HDAC2 Q92769 2/20 0.49
NCOR2 Q9Y618 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 1/20 0.47

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) NPC1HDAC6HDAC8ALDH1A1SMN1; SMN2
SCHEMBL4893276 0.83 ALDH1A1 (0.66) RAB9ANPC1HDAC6HDAC8ALDH1A1
SCHEMBL4888218 0.81 HDAC3 (0.56) RAB9ANPC1HDAC6HDAC8ALDH1A1
SCHEMBL4893773 0.80 HDAC8 (0.54) RAB9ANPC1HDAC6HDAC8ALDH1A1
SCHEMBL4899259 0.79 PTGS2 (0.60) RAB9ANPC1HDAC6HDAC8ALDH1A1
SCHEMBL16980542 0.78 L3MBTL1 (0.57) RAB9ANPC1HDAC6HDAC8ALDH1A1
SCHEMBL104431 0.78 RAB9A (0.75) RAB9ANPC1HDAC6HDAC8ALDH1A1
SCHEMBL4896662 0.77 EPHX2 (0.52) HDAC6HDAC8ALDH1A1SMN1; SMN2GAA
SCHEMBL14005157 0.76 HDAC1 (0.68) RAB9AHDAC6HDAC8LMNAPTGS2
SCHEMBL4896617 0.76 HDAC6 (0.56) RAB9ANPC1HDAC6HDAC8ALDH1A1

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 RAB9A 1363/4885NPC1 363/4885HDAC6 1039/4885

“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.