SCHEMBL2138096

SCHEMBL2138096

CC(=O)Nc1ccc(C(=O)NN(C(=O)OC(C)(C)C)c2ccc(Br)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
MAPT P10636 4/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HDAC1 Q13547 1/20 0.44
IDO1 P14902 1/20 0.43
LMNA P02545 2/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
TP53 P04637 1/20 0.40
MCL1 Q07820 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ASF1A Q9Y294 1/20 0.39
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
NAMPT P43490 1/20 0.39

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
SCHEMBL2132839 0.84 CYP2C9 (0.49) RAB9AMAPTKDM4EMEN1KMT2A
SCHEMBL2133980 0.84 KMT2A (0.46) RAB9AMAPTKDM4EMEN1KMT2A
SCHEMBL2464914 0.83 RAB9A (0.51) RAB9AMAPTKDM4EMEN1KMT2A
SCHEMBL15551965 0.80 HDAC1 (0.43) RAB9AMAPTKDM4EMEN1KMT2A
SCHEMBL2857931 0.72 MAPT (0.64) RAB9AMAPTKDM4EMEN1KMT2A
SCHEMBL3773374 0.72 TDP1 (0.49) RAB9AMEN1KMT2AALDH1A1HDAC1
SCHEMBL1780463 0.71 MAPT (0.43) RAB9AMAPTKDM4EMEN1KMT2A
SCHEMBL9674 0.70 MAPT (0.81) RAB9AMAPTKDM4EMEN1KMT2A
SCHEMBL2138082 0.70 HDAC1 (0.61) RAB9AMAPTKDM4EMEN1KMT2A
SCHEMBL22461361 0.70 NAMPT (0.61) RAB9AMAPTKDM4EMEN1KMT2A

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 1 patent. 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

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 RAB9A 2199/4885MAPT 1265/4885KDM4E 405/4885

“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.