SCHEMBL14005231

SCHEMBL14005231

O=C(NNc1cccc2cccnc12)c1ccc(CNCc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.61
HDAC3 O15379 4/20 0.61
HDAC1 Q13547 4/20 0.61
HDAC2 Q92769 4/20 0.61
HDAC8 Q9BY41 2/20 0.61
HDAC4 P56524 1/20 0.61
HDAC7 Q8WUI4 1/20 0.61
HDAC10 Q969S8 1/20 0.61
HDAC11 Q96DB2 1/20 0.61
HDAC9 Q9UKV0 1/20 0.61
HDAC5 Q9UQL6 1/20 0.61
NCOR2 Q9Y618 1/20 0.61
KDR P35968 2/20 0.56
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MEN1 O00255 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL4744989 0.80 HDAC6 (0.59) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL30882803 0.77 KMT2A (0.63) HDAC6HDAC3HDAC1HDAC2KDR
SCHEMBL18668657 0.76 KDR (0.70) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL30285076 0.76 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL28966151 0.76 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL24522646 0.76 HDAC6 (0.74) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL31424931 0.76 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL29412220 0.76 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL19631273 0.76 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL6018270 0.75 HDAC6 (0.77) HDAC6HDAC3HDAC1HDAC2HDAC8

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-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 1391/4885HDAC1 803/4885

“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.