SCHEMBL4747962

SCHEMBL4747962

COC(=O)c1ccc(N/N=C/c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
MAPT P10636 12/20 0.62
KMT2A Q03164 8/20 0.62
GAA P10253 7/20 0.62
KDM4E B2RXH2 3/20 0.62
NOX1 Q9Y5S8 2/20 0.59
NPC1 O15118 10/20 0.58
RAB9A P51151 10/20 0.58
SMN1; SMN2 Q16637 6/20 0.58
ALDH1A1 P00352 4/20 0.58
HPGD P15428 4/20 0.58
MEN1 O00255 6/20 0.56
POLB P06746 2/20 0.56
HSP90AA1 P07900 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
MITF O75030 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.54

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
SCHEMBL4747964 1.00 CA1 (0.64) CA1CA2MAPTKMT2AGAA
SCHEMBL4172197 0.94 MAPT (0.70) CA1CA2MAPTKMT2AGAA
SCHEMBL4172201 0.94 MAPT (0.70) CA1CA2MAPTKMT2AGAA
SCHEMBL714966 0.84 RAB9A (0.74) MAPTKMT2AGAAKDM4ENOX1
SCHEMBL714967 0.84 RAB9A (0.74) MAPTKMT2AGAAKDM4ENOX1
SCHEMBL23928498 0.82 MAPT (0.50) CA1CA2MAPTKMT2AGAA
SCHEMBL16039805 0.81 RAB9A (0.62) MAPTKMT2AGAAKDM4ENPC1
SCHEMBL16039803 0.81 RAB9A (0.62) MAPTKMT2AGAAKDM4ENPC1
SCHEMBL20219231 0.78 CA2 (1.00) CA1CA2MAPTKMT2ANPC1
SCHEMBL10354505 0.78 CA2 (1.00) CA1CA2MAPTKMT2ANPC1

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 5 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
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 CA1 4426/4885CA2 4183/4885MAPT 4253/4885

“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.