SCHEMBL461564

SCHEMBL461564

CCS(=O)(=O)Nc1cccc(-c2ccc3c(c2)CC(C(=O)NO)CC3(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 3/20 0.50
AAK1 Q2M2I8 5/20 0.40
GAK O14976 4/20 0.40
STK16 O75716 4/20 0.40
BMP2K Q9NSY1 4/20 0.40
ALDH1A1 P00352 3/20 0.39
PKM P14618 3/20 0.39
HTT P42858 1/20 0.39
BRD4 O60885 3/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 1/20 0.38
TDP2 O95551 1/20 0.38
KDM1A O60341 1/20 0.37
ABL1 P00519 1/20 0.37
RIOK3 O14730 1/20 0.36
PIP5K1C O60331 1/20 0.36
CDKL2 Q92772 1/20 0.36
RIOK1 Q9BRS2 1/20 0.36
MYLK2 Q9H1R3 1/20 0.36
BRDT Q58F21 1/20 0.36

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
SCHEMBL460549 0.67 AAK1 (0.43) GRIA2AAK1GAKSTK16BMP2K
SCHEMBL2929244 0.67 GRIA2 (1.00) GRIA2
SCHEMBL460332 0.67 AAK1 (0.45) GRIA2AAK1BRD4KMT2AMEN1
SCHEMBL438630 0.65 GRIA2 (0.53) GRIA2AAK1PIP5K1C
SCHEMBL10197667 0.65 GRIA2 (0.53) GRIA2AAK1ALDH1A1PIP5K1C
SCHEMBL10197813 0.65 DRD2 (0.39) GRIA2KMT2AMEN1ABL1
SCHEMBL346350 0.65 MAPK1 (0.48) GRIA2AAK1ALDH1A1HTTKMT2A
SCHEMBL2934347 0.65 GRIA2 (0.83) GRIA2
SCHEMBL460073 0.65 HDAC1 (0.41) GRIA2ALDH1A1
SCHEMBL461533 0.64 JAK1 (0.35) GRIA2ALDH1A1PKMHTTABL1

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-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 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-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 GRIA2 237/4885AAK1 4580/4885GAK 1902/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 GRIA2 674/4885AAK1 4555/4885GAK 2740/4885

“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.