SCHEMBL4928443

SCHEMBL4928443

NCc1cccc(CNC(=O)c2ccccc2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.74
HDAC6 Q9UBN7 3/20 0.60
HDAC2 Q92769 2/20 0.60
HDAC8 Q9BY41 2/20 0.60
ERCC1 P07992 1/20 0.60
ERCC4 Q92889 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
TSHR P16473 1/20 0.60
CYP2C19 P33261 1/20 0.60
PPARG P37231 1/20 0.59
LOX P28300 2/20 0.57
LOXL2 Q9Y4K0 2/20 0.57
HTR2C P28335 1/20 0.56
NR1H4 Q96RI1 1/20 0.56
KLKB1 P03952 1/20 0.55
HDAC1 Q13547 1/20 0.55
HPGD P15428 1/20 0.54
CA2 P00918 1/20 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
SCHEMBL4925434 0.92 CFD (0.62) CFDHDAC6HDAC2HDAC8ERCC1
SCHEMBL11901042 0.92 HDAC6 (0.70) CFDHDAC6HDAC2HDAC8ERCC1
SCHEMBL4927927 0.88 HASPIN (0.58) CFDHDAC6HDAC2HDAC8ERCC1
SCHEMBL17863573 0.88 AOC3 (0.68) CFDHDAC6HDAC2HDAC8ERCC1
SCHEMBL506656 0.87 HDAC6 (0.70) CFDHDAC6HDAC2HDAC8CYP1A2
SCHEMBL4926491 0.86 CFD (0.57) CFDHDAC6HDAC2HDAC8HTR2C
SCHEMBL22047184 0.85 PPARG (0.78) CFDHDAC6HDAC2HDAC8ERCC1
SCHEMBL14899838 0.84 CFD (0.66) CFDHDAC6HDAC2HDAC8PPARG
SCHEMBL11205535 0.84 ERCC1 (0.69) HDAC6HDAC2HDAC8ERCC1ERCC4
SCHEMBL4161846 0.84 HDAC6 (0.60) CFDHDAC6HDAC2HDAC8ERCC1

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-20080070987-A1 META-XYLYLENEDIAMINE VANADATE SALTS YRAOLA FONT FRANCESC 2008-03-20 US claimed
WO-2007131996-A1 META-XYLYLENEDIAMINE VANADATE SALTS GENMEDICA THERAPEUTICS SL (ES) 2007-11-22 WO claimed
US-20080070987-A1 META-XYLYLENEDIAMINE VANADATE SALTS YRAOLA FONT FRANCESC 2008-03-20 US disclosed
WO-2007131996-A1 META-XYLYLENEDIAMINE VANADATE SALTS GENMEDICA THERAPEUTICS SL (ES) 2007-11-22 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-20080070987-A1 META-XYLYLENEDIAMINE VANADATE SALTS SLC5A1, SLC5A2, SLC2A9 CFD 1441/4885HDAC6 1172/4885HDAC2 2747/4885

“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.