SCHEMBL3455780

SCHEMBL3455780

Nc1ccccc1NC(=O)c1[nH]nc2c1CCN(C(=O)O)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.42
HDAC2 Q92769 12/20 0.42
HDAC3 O15379 11/20 0.42
MAPK1 P28482 1/20 0.42
HDAC8 Q9BY41 5/20 0.39
HDAC6 Q9UBN7 5/20 0.39
HDAC4 P56524 4/20 0.39
HDAC7 Q8WUI4 4/20 0.39
HDAC10 Q969S8 4/20 0.39
HDAC11 Q96DB2 4/20 0.39
HDAC9 Q9UKV0 4/20 0.39
HDAC5 Q9UQL6 4/20 0.39
NCOR2 Q9Y618 2/20 0.39
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
KCNH2 Q12809 1/20 0.37
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL5069421 0.85 F12 (0.44) HDAC1MAPK1
SCHEMBL3455782 0.75 BRD4 (0.34)
SCHEMBL5072629 0.74 KDM4E (0.32)
SCHEMBL13822836 0.72 F10 (0.47) HDAC1HDAC2HDAC3HDAC6NPC1
SCHEMBL14031814 0.72 HSD11B1 (0.43) HDAC1KCNH2NPC1RAB9A
SCHEMBL28460855 0.71 P2RX7 (0.31)
SCHEMBL13822826 0.71 HDAC2 (0.47) HDAC1HDAC2HDAC3MAPK1HDAC8
SCHEMBL5070030 0.70 F12 (0.41) HDAC1HDAC2
SCHEMBL13822842 0.69 HDAC1 (0.45) HDAC1HDAC2HDAC3MAPK1HDAC8
SCHEMBL13822878 0.68 KDM1A (0.51) HDAC1HDAC2HDAC3MAPK1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2251340-A1 Substituted tetrahydro-1h-pyrazolo[3,4-c] pyridines, compositions containing same and use thereof Aventis Pharma S.A. (FR) 2010-11-17 EP disclosed
US-7435820-B2 Substituted tetrahydro-1H-pyrazolo [3,4-c]pyridines compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2008-10-14 US disclosed
US-7109340-B2 Substituted tetrahydro-1H-pyrazolo [3,4-c] pyridines, compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2006-09-19 US disclosed
US-20060199837-A1 SUBSTITUTED TETRAHYDRO-1H-PYRAZOLO [3,4-C]PYRIDINES COMPOSITIONS COMPRISING THEM, AND USE AVENTIS PHARMA S.A. (FR) 2006-09-07 US disclosed
EP-1646632-A2 SUBSTITUTED TETRAHYDRO-1 I H /I -PYRAZOLO 3,4-C|PYRIDINES, COMPOSITIONS CONTAINING SAME AND USE Aventis Pharma S.A. (FR) 2006-04-19 EP disclosed
US-20050096345-A1 Substituted tetrahydro-1H-pyrazolo [3,4-c] pyridines, compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2005-05-05 US disclosed
WO-2005007653-A2 SUBSTITUTED TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDINES, COMPOSITIONS CONTAINING SAME AND USE AVENTIS PHARMA S.A. (FR) 2005-01-27 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-20060199837-A1 SUBSTITUTED TETRAHYDRO-1H-PYRAZOLO [3,4-C]PYRIDINES COMPOSITIONS COMPRISING THEM, AND USE BRD4, TP53, HCCS HDAC1 68/4885HDAC2 620/4885HDAC3 47/4885
US-20050096345-A1 Substituted tetrahydro-1H-pyrazolo [3,4-c] pyridines, compositions comprising them, and use BRD4, TP53, HCCS HDAC1 85/4885HDAC2 616/4885HDAC3 57/4885

“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.