SCHEMBL2116709

SCHEMBL2116709

O=C(NCP(=O)(O)O)c1ccc2cccc(-c3cccc4ccccc34)c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 5/20 0.39
HDAC6 Q9UBN7 5/20 0.39
HDAC3 O15379 4/20 0.39
HDAC4 P56524 4/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC7 Q8WUI4 4/20 0.39
HDAC2 Q92769 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
KDM4C Q9H3R0 1/20 0.39
ACP3 P15309 1/20 0.38
FDPS P14324 1/20 0.38
KDM6B O15054 1/20 0.38
FTO Q9C0B1 1/20 0.38
PIM1 P11309 2/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
GAA P10253 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
SCHEMBL2120452 0.85 FDPS (0.44) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL2120455 0.82 FDPS (0.38) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL2118237 0.80 ACP3 (0.40) HDAC8HDAC6ACP3FDPSKDM6B
SCHEMBL2117716 0.77 KDM4E (0.58) FDPSALDH1A1HPGDMMP2
SCHEMBL2119125 0.76 FDPS (0.42) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL13689608 0.76 PIM1 (0.59) HDAC8HDAC6FDPSPIM1ALDH1A1
Hydrochloric Acid SCHEMBL2119121 0.75 FDPS (0.42) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL2116282 0.75 PTGER4 (0.50) HDAC8FDPSALDH1A1HPGDGAA
SCHEMBL2118355 0.75 PGK1 (0.51) HDAC8HDAC6ACP3CA12CA2
Ammonia Solution, Strong SCHEMBL2117519 0.74 GAA (0.36) HDAC8HDAC6HDAC3HDAC4HDAC1

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-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 US claimed
CN-101959865-A Quinolines as farnesyl pyrophosphate synthase inhibitor NOVARTIS AG 2011-01-26 CN claimed
EP-2250152-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE Novartis AG (CH) 2010-11-17 EP claimed
WO-2009106586-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2009-09-03 WO claimed
US-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 US disclosed
US-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 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 (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-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE FDPS, GGPS1, CTPS1 HDAC8 4041/4885HDAC6 3491/4885HDAC3 4127/4885

“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.