SCHEMBL3335404

SCHEMBL3335404

Nc1ccccc1NC(=O)C1CC1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.84
HDAC2 Q92769 10/20 0.84
HDAC3 O15379 9/20 0.84
GAA P10253 2/20 0.55
PKM P14618 1/20 0.55
PLAU P00749 1/20 0.55
CETP P11597 1/20 0.54
MAPK1 P28482 1/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
GFER P55789 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HDAC4 P56524 1/20 0.50

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
SCHEMBL4223097 0.91 HDAC1 (1.00) HDAC1HDAC2HDAC3GAACETP
SCHEMBL13739891 0.84 HDAC1 (0.67) HDAC1HDAC2HDAC3CETPMAPK1
SCHEMBL13735120 0.83 HDAC1 (0.65) HDAC1HDAC2HDAC3MAPK1KMT2A
SCHEMBL4083428 0.83 HDAC1 (0.60) HDAC1HDAC2HDAC3GAAPKM
SCHEMBL4744831 0.81 SMN1; SMN2 (0.67) HDAC1HDAC2HDAC3GAAPKM
SCHEMBL29721597 0.79 GAA (0.60) HDAC1HDAC2HDAC3GAAPKM
SCHEMBL17544709 0.79 GAA (0.60) HDAC1HDAC2HDAC3GAAPKM
SCHEMBL28592805 0.79 CYP2C19 (0.64) HDAC1HDAC2HDAC3GAAPKM
SCHEMBL21724826 0.79 SIRT2 (0.63) HDAC1HDAC2HDAC3GAAPKM
SCHEMBL13972908 0.78 SMN1; SMN2 (0.59) HDAC1HDAC2HDAC3GAAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144732-A1 PYRIMIDINE KINASE INHIBITORS GENENTECH, INC. 2010-06-10 US disclosed
US-20100144732-A1 PYRIMIDINE KINASE INHIBITORS GENENTECH, INC. 2010-06-10 US disclosed
US-20100144732-A1 PYRIMIDINE KINASE INHIBITORS GENENTECH, INC. 2010-06-10 US disclosed
CN-101563327-A Pyrimidine kinase inhibitors GENENTECH INC (US) 2009-10-21 CN disclosed
EP-2099771-A1 PYRIMIDINE KINASE INHIBITORS Genentech, Inc. (US) 2009-09-16 EP disclosed
US-20080318989-A1 Pyrimidine Kinase Inhibitors GENENTECH, INC. 2008-12-25 US disclosed
US-20080318989-A1 Pyrimidine Kinase Inhibitors GENENTECH, INC. 2008-12-25 US disclosed
US-20080318989-A1 Pyrimidine Kinase Inhibitors GENENTECH, INC. 2008-12-25 US disclosed
EP-1968950-A1 PYRIMIDINE KINASE INHIBITORS Genentech, Inc. (US) 2008-09-17 EP disclosed
WO-2008079719-A1 PYRIMIDINE KINASE INHIBITORS GENENTECH, INC. (US) 2008-07-03 WO disclosed
WO-2008079719-A1 PYRIMIDINE KINASE INHIBITORS GENENTECH, INC. (US) 2008-07-03 WO disclosed
WO-2007120339-A1 PYRIMIDINE KINASE INHIBITORS GENENTECH, INC. (US) 2007-10-25 WO disclosed
WO-2007120339-A1 PYRIMIDINE KINASE INHIBITORS GENENTECH, INC. (US) 2007-10-25 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 (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-20080318989-A1 Pyrimidine Kinase Inhibitors DCK, DTYMK, TK1 HDAC1 1548/4885HDAC2 1670/4885HDAC3 2193/4885
US-20100144732-A1 PYRIMIDINE KINASE INHIBITORS DTYMK, DCK, TYMP HDAC1 1855/4885HDAC2 1861/4885HDAC3 2641/4885

“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.