SCHEMBL447034

SCHEMBL447034

COc1cc2c(c(Br)c1OC)CN(Cc1ccc(C(=O)NN(C(=O)O)c3ccc(-c4cccs4)cc3)cc1)C2=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DRD4 P21917 9/20 0.37
DRD2 P14416 7/20 0.37
HTR2A P28223 7/20 0.37
TNFRSF1A P19438 2/20 0.36
HDAC1 Q13547 4/20 0.35
HDAC2 Q92769 3/20 0.35
HDAC3 O15379 1/20 0.35
HDAC6 Q9UBN7 2/20 0.35
CHRM4 P08173 1/20 0.35
ABCB1 P08183 1/20 0.35
MMP1 P03956 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
ADAM17 P78536 1/20 0.34

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
SCHEMBL447033 0.83 HDAC1 (0.45) KDM4EMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL450096 0.79 HDAC1 (0.43) KDM4EMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL450315 0.79 MEN1 (0.39) KDM4EMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL450095 0.79 HDAC1 (0.44) KDM4EMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL449992 0.77 DRD4 (0.36) MEN1KMT2ADRD4DRD2HTR2A
SCHEMBL447466 0.76 ALDH1A1 (0.41) MEN1ALDH1A1KMT2AHDAC1HDAC2
SCHEMBL448440 0.75 MEN1 (0.44) KDM4EMEN1ALDH1A1KMT2AHDAC1
SCHEMBL3975612 0.73 MAPT (0.43) MEN1ALDH1A1KMT2ADRD4DRD2
SCHEMBL449975 0.72 HDAC1 (0.61) HDAC1HDAC2HDAC3HDAC6
SCHEMBL4579392 0.72 HPGDS (0.46) DRD4DRD2HTR2AHDAC1CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716326-B2 Isoindolinone derivatives, preparation method thereof and a pharmaceutical composition comprising same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2014-05-06 US disclosed
US-20120065396-A1 ISOINDOLINONE DERIVATIVES, PREPARATION METHOD THEREOF AND A PHARMACEUTICAL COMPOSITION COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-03-15 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-20120065396-A1 ISOINDOLINONE DERIVATIVES, PREPARATION METHOD THEREOF AND A PHARMACEUTICAL COMPOSITION COMPRISING SAME PPIP5K2, SOST, ALPL KDM4E 2116/4885MEN1 1458/4885ALDH1A1 2138/4885

“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.