SCHEMBL4451264

SCHEMBL4451264

Nc1ccccc1NC(=O)Cc1ccc(O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 7/20 0.61
HDAC3 O15379 10/20 0.59
HDAC1 Q13547 8/20 0.59
HDAC2 Q92769 7/20 0.59
HDAC8 Q9BY41 6/20 0.59
HDAC10 Q969S8 6/20 0.59
HDAC6 Q9UBN7 6/20 0.59
HDAC7 Q8WUI4 5/20 0.59
HDAC11 Q96DB2 5/20 0.59
HDAC9 Q9UKV0 5/20 0.59
HDAC5 Q9UQL6 5/20 0.59
NCOR2 Q9Y618 4/20 0.57
HPGD P15428 2/20 0.51
KCNQ2 O43526 3/20 0.51
KMT2A Q03164 3/20 0.51
GAA P10253 1/20 0.51
PKM P14618 1/20 0.51
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 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
SCHEMBL3819539 0.89 HDAC3 (0.60) HDAC4HDAC3HDAC1HDAC2HDAC8
SCHEMBL8609928 0.88 HPGD (0.65) HDAC4HDAC3HDAC1HDAC2HDAC8
SCHEMBL4895996 0.86 HDAC3 (0.58) HDAC4HDAC3HDAC1HDAC2HDAC8
SCHEMBL3819531 0.84 HDAC3 (0.60) HDAC4HDAC3HDAC1HDAC2HDAC8
SCHEMBL16016632 0.82 HDAC3 (0.61) HDAC4HDAC3HDAC1HDAC2HDAC8
SCHEMBL8079289 0.81 NPC1 (0.62) HDAC4HDAC3HDAC1HDAC2HDAC8
SCHEMBL19879879 0.79 HPGD (0.60) HPGDKCNQ2KMT2AGAAPKM
SCHEMBL20179113 0.79 HDAC1 (0.80) HDAC4HDAC3HDAC1HDAC2HDAC8
SCHEMBL25248640 0.79 HDAC3 (0.72) HDAC4HDAC3HDAC1HDAC2HDAC8
SCHEMBL4420808 0.76 EPHX2 (0.79) HDAC4HDAC3HDAC1HDAC2HDAC8

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-20090124555-A1 USE OF HISTOGRANIN AND HISTOGRANIN-LIKE COMPOUNDS AS INHIBITORS OF P2X7 RECEPTOR FUNCTION AND AS ANTI-ARTHRITIC AGENTS BERNATCHEZ-LEMAIRE IRMA 2009-05-14 US disclosed
WO-2007025366-A1 USE OF HISTOGRANIN AND HISTOGRANIN-LIKE COMPOUNDS AS INHIBITORS OF P2X7 RECEPTOR FUNCTION AND AS ANTI-ARTHRITIC AGENTS BERNATCHEZ-LEMAIRE IRMA (CA) 2007-03-08 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-20090124555-A1 USE OF HISTOGRANIN AND HISTOGRANIN-LIKE COMPOUNDS AS INHIBITORS OF P2X7 RECEPTOR FUNCTION AND AS ANTI-ARTHRITIC AGENTS P2RX5, P2RX3, P2RX2 HDAC4 2740/4885HDAC3 3143/4885HDAC1 3559/4885

“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.