SCHEMBL14005262

SCHEMBL14005262

O=C(NCc1ccccc1)c1cnc(NNCc2ccccc2)nc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.67
L3MBTL1 Q9Y468 1/20 0.59
HDAC2 Q92769 5/20 0.58
HDAC3 O15379 5/20 0.58
HDAC1 Q13547 4/20 0.58
HDAC6 Q9UBN7 3/20 0.58
HDAC8 Q9BY41 3/20 0.53
HDAC11 Q96DB2 1/20 0.53
ALOX15 P16050 1/20 0.53
VNN1 O95497 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
ROCK2 O75116 1/20 0.50
RPS6KA5 O75582 1/20 0.50
MAP4K4 O95819 1/20 0.50
PRKCG P05129 1/20 0.50
PRKACA P17612 1/20 0.50
RPS6KB1 P23443 1/20 0.50
MAPK1 P28482 1/20 0.50
AKT1 P31749 1/20 0.50
GSK3A P49840 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
SCHEMBL4636511 0.80 HPGDS (1.00) HPGDSL3MBTL1HDAC2HDAC3HDAC1
SCHEMBL5077115 0.80 HPGDS (0.67) HPGDSL3MBTL1HDAC2HDAC1HDAC6
SCHEMBL14005266 0.79 RAB9A (0.55) HPGD
SCHEMBL14005267 0.77 MAPT (0.54) L3MBTL1
SCHEMBL14029902 0.77 CNR2 (0.52) HPGDSL3MBTL1HPGD
SCHEMBL5077152 0.77 HPGDS (0.67) HPGDSL3MBTL1HDAC2HDAC3HDAC1
SCHEMBL4745657 0.76 CNR2 (0.76)
SCHEMBL13210567 0.76 L3MBTL1 (0.76) HPGDSL3MBTL1HDAC2HDAC6HDAC8
SCHEMBL10077690 0.76 L3MBTL1 (0.71) HPGDSL3MBTL1HDAC2HDAC1HDAC6
SCHEMBL457082 0.75 HDAC6 (0.79) HDAC2HDAC1HDAC6HDAC8ROCK2

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
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 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-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 HPGDS 51/4885L3MBTL1 4465/4885HDAC2 2672/4885

“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.