SCHEMBL2133268

SCHEMBL2133268

CC(C)(C)OC(=O)NN(C(=O)c1ccc(C(=O)O)cc1)c1cccc(-c2cccnc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.47
MKNK1 Q9BUB5 2/20 0.46
MKNK2 Q9HBH9 2/20 0.46
GPR119 Q8TDV5 1/20 0.43
NAMPT P43490 2/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
IP6K1 Q92551 1/20 0.40
IP6K3 Q96PC2 1/20 0.40
IP6K2 Q9UHH9 1/20 0.40
CYP17A1 P05093 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SLC2A1 P11166 1/20 0.39
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
RAB9A P51151 2/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL2132259 0.91 CYP19A1 (0.50) KMOGPR119NAMPTCYP19A1CYP11B1
SCHEMBL4085418 0.80 TDP1 (0.51) CYP3A4CYP2C9CYP2C19RAB9AHTT
SCHEMBL20163092 0.80 GPR119 (0.48) GPR119ABL1BCRGBA1
SCHEMBL20163131 0.74 KIT (0.47) GPR119ABL1BCRGBA1
SCHEMBL2133263 0.73 ABCB1 (0.54) KMOMKNK1MKNK2NAMPTCYP17A1
SCHEMBL17101625 0.72 RAB9A (0.48) GPR119NAMPTCYP3A4RAB9AHTT
SCHEMBL20163014 0.71 TBK1 (0.50) GPR119CYP17A1SLC2A1GBA1
SCHEMBL21934953 0.71 CYP3A4 (0.41) CYP3A4CYP2C9CYP2C19RAB9ANPC1
SCHEMBL4505385 0.71 GPR119 (0.41) GPR119CYP3A4CYP2C9CYP2C19ABL1
SCHEMBL5767875 0.70 GPR119 (0.42) GPR119CYP17A1CYP3A4CYP2C9CYP2C19

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 3 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
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

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 KMO 1983/4885MKNK1 342/4885MKNK2 242/4885

“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.