SCHEMBL17210896

SCHEMBL17210896

CC(=O)c1ccc(C2=C(c3c(C)[nH]c4ccccc34)C(=O)CC2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
GSK3B P49841 1/20 0.41
ADK P55263 1/20 0.41
IMPDH2 P12268 1/20 0.41
CCR6 P51684 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
KDM4E B2RXH2 3/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE9A O76083 1/20 0.38
PDE1C Q14123 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
GAA P10253 2/20 0.37
DDX3X O00571 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 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
SCHEMBL17210879 0.89 GSK3B (0.41) MAPTALDH1A1MEN1MAPK1KMT2A
SCHEMBL17210892 0.86 DDX3X (0.48) MAPTALDH1A1MEN1MAPK1KMT2A
SCHEMBL17210882 0.85 MAOA (0.47) MAPTALDH1A1KMT2AGSK3BADK
SCHEMBL17210881 0.84 CCR6 (0.53) MAPTALDH1A1MEN1MAPK1KMT2A
SCHEMBL15797125 0.84 CAMK2D (0.46) MAPTALDH1A1MEN1MAPK1KMT2A
SCHEMBL15797225 0.84 HDAC6 (0.43) MAPTALDH1A1MEN1MAPK1KMT2A
SCHEMBL17210884 0.84 GSK3B (0.50) MAPTALDH1A1MEN1KMT2AGSK3B
SCHEMBL15797024 0.83 GSK3B (0.47) MAPTALDH1A1MEN1MAPK1KMT2A
SCHEMBL17210887 0.82 MAPT (0.43) MAPTALDH1A1MEN1MAPK1KMT2A
SCHEMBL17236469 0.81 PDE9A (0.40) MAPTALDH1A1MEN1MAPK1KMT2A

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-9993463-B2 Use of maleimide derivatives for preventing and treating cancer CENTOGENE AG (DE) 2018-06-12 US disclosed
US-9724331-B2 Use of maleimide derivatives for preventing and treating leukemia CENTOGENE AG (DE) 2017-08-08 US disclosed
US-20150313882-A1 USE OF MALEIMIDE DERIVATIVES FOR PREVENTING AND TREATING CANCER CENTOGENE AG (DE) 2015-11-05 US disclosed
US-20150306070-A1 USE OF MALEIMIDE DERIVATIVES FOR PREVENTING AND TREATING LEUKEMIA CENTOGENE AG (DE) 2015-10-29 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 (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-20150313882-A1 USE OF MALEIMIDE DERIVATIVES FOR PREVENTING AND TREATING CANCER MGMT, CBR3, IDH3A MAPT 4752/4885ALDH1A1 346/4885MEN1 167/4885
US-20150306070-A1 USE OF MALEIMIDE DERIVATIVES FOR PREVENTING AND TREATING LEUKEMIA MCL1, NPM1, FLI1 MAPT 4847/4885ALDH1A1 373/4885MEN1 347/4885

“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.