SCHEMBL2133263

SCHEMBL2133263

CC(C)(C)OC(=O)Nc1ccc(-c2cccnc2)cc1NC(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 7/20 0.54
NAMPT P43490 2/20 0.54
MKNK1 Q9BUB5 2/20 0.50
MKNK2 Q9HBH9 2/20 0.50
HDAC1 Q13547 5/20 0.49
NTRK1 P04629 1/20 0.48
ABCC1 P33527 2/20 0.48
HDAC3 O15379 1/20 0.47
HDAC2 Q92769 1/20 0.47
CYP17A1 P05093 1/20 0.46
KMO O15229 1/20 0.45

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
SCHEMBL2606716 0.92 NAMPT (0.54) ABCB1NAMPTMKNK1MKNK2HDAC1
SCHEMBL2132251 0.91 ABCB1 (0.56) ABCB1NAMPTMKNK1MKNK2HDAC1
SCHEMBL2606718 0.88 ABCB1 (0.55) ABCB1NAMPTMKNK1MKNK2HDAC1
SCHEMBL2828638 0.87 NAMPT (0.61) ABCB1NAMPTMKNK1MKNK2HDAC1
SCHEMBL8292317 0.85 HDAC1 (0.56) ABCB1NAMPTMKNK1MKNK2HDAC1
SCHEMBL25215311 0.84 ABCB1 (0.47) ABCB1NAMPTMKNK1MKNK2HDAC1
SCHEMBL30474768 0.84 ABCB1 (0.47) ABCB1NAMPTMKNK1MKNK2HDAC1
SCHEMBL14155935 0.82 CYP2E1 (0.48) ABCB1NAMPTMKNK1MKNK2HDAC1
SCHEMBL14155934 0.82 CYP2A6 (0.48) ABCB1NAMPTMKNK1MKNK2HDAC1
SCHEMBL2132109 0.82 CD274 (0.51) ABCB1NAMPTHDAC2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101147-A1 INHIBITION OF HDAC2 TO PROMOTE MEMORY THE GENERAL HOSPITAL CORPORATION D/B/A MASSACHUSETTS GENERAL HOSPITAL (US) 2012-04-26 US disclosed
US-20120101147-A1 INHIBITION OF HDAC2 TO PROMOTE MEMORY THE GENERAL HOSPITAL CORPORATION D/B/A MASSACHUSETTS GENERAL HOSPITAL (US) 2012-04-26 US disclosed
US-20120101147-A1 INHIBITION OF HDAC2 TO PROMOTE MEMORY THE GENERAL HOSPITAL CORPORATION D/B/A MASSACHUSETTS GENERAL HOSPITAL (US) 2012-04-26 US disclosed
EP-2367599-A1 INHIBITION OF HDAC2 TO PROMOTE MEMORY Massachusetts Institute of Technology (US) 2011-09-28 EP disclosed
WO-2010065117-A1 INHIBITION OF HDAC2 TO PROMOTE MEMORY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-06-10 WO disclosed
WO-2010065117-A1 INHIBITION OF HDAC2 TO PROMOTE MEMORY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-06-10 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-20120101147-A1 INHIBITION OF HDAC2 TO PROMOTE MEMORY HDAC2, HDAC1, HDAC3 ABCB1 4847/4885NAMPT 1233/4885MKNK1 342/4885

“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.