SCHEMBL6695263

SCHEMBL6695263

O=C(O)NC(=O)C1c2ccccc2Oc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.69
HDAC4 P56524 1/20 0.69
HDAC1 Q13547 1/20 0.69
HDAC7 Q8WUI4 1/20 0.69
HDAC2 Q92769 1/20 0.69
HDAC10 Q969S8 1/20 0.69
HDAC11 Q96DB2 1/20 0.69
HDAC8 Q9BY41 1/20 0.69
HDAC6 Q9UBN7 1/20 0.69
HDAC9 Q9UKV0 1/20 0.69
HDAC5 Q9UQL6 1/20 0.69
LMNA P02545 2/20 0.62
HTT P42858 3/20 0.60
TP53 P04637 2/20 0.60
MAPT P10636 2/20 0.58
ATM Q13315 1/20 0.58
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
ALDH1A1 P00352 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL30451255 0.84 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2843958 0.81 HDAC4 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL217745 0.80 HDAC3 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14249309 0.80 HDAC3 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6866118 0.80 POLB (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
Xanthene Carboxylic Acid SCHEMBL30011680 0.79 ATM (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
Xanthene Carboxylic Acid SCHEMBL40617 0.79 ATM (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6867060 0.78 KMT2A (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
Xanthene Carboxylic Acid SCHEMBL9551091 0.77 ATM (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
Xanthene Carboxylic Acid SCHEMBL5780275 0.77 ATM (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2

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-20120264784-A1 METHODS OF TREATING ELEVATIONS IN MTOR SIGNALING MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2012-10-18 US disclosed
EP-2496224-A1 METHODS OF TREATING ELEVATIONS IN MTOR SIGNALING Brown University (US) 2012-09-12 EP disclosed
US-20040054195-A1 Fluorescent dyes; photostability; labels, staining; analysis NORTHEASTERN UNIVERSITY 2004-03-18 US disclosed
WO-2002055512-A1 XANTHENE DERIVATIVES NORTHEASTERN UNIVERSITY (US) 2002-07-18 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 (2 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-20120264784-A1 METHODS OF TREATING ELEVATIONS IN MTOR SIGNALING MTOR, RPTOR, GRM1 HDAC3 632/4885HDAC4 756/4885HDAC1 552/4885
US-20040054195-A1 Fluorescent dyes; photostability; labels, staining; analysis ANXA5, XDH, TFEB HDAC3 2491/4885HDAC4 3832/4885HDAC1 4493/4885

“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.