SCHEMBL2116764

SCHEMBL2116764

CCOP(=O)(CNc1ccc2cc(I)cc(-c3cccc4ccccc34)c2n1)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.38
ALDH1A1 P00352 8/20 0.38
HPGD P15428 7/20 0.38
L3MBTL1 Q9Y468 6/20 0.38
MAPT P10636 4/20 0.38
LMNA P02545 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
FDPS P14324 1/20 0.37
GAA P10253 6/20 0.36
GLA P06280 5/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGS2 P35354 4/20 0.33
CCNT1 O60563 3/20 0.33
CDK9 P50750 3/20 0.33
RECQL P46063 1/20 0.32

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
SCHEMBL2116374 0.88 KDM4E (0.43) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL2116893 0.88 FDPS (0.41) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL2116328 0.85 KDM4E (0.37) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL2119256 0.84 ACP3 (0.35) KDM4EMAPTFDPSGAAKMT2A
SCHEMBL2116268 0.82 PDE10A (0.38) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL2116767 0.81 DHODH (0.33) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL2115840 0.80 KDM4E (0.41) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL2118417 0.79 KDM4E (0.33) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL27801377 0.75 FDPS (0.38) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL2117118 0.74 KMT2A (0.50) KDM4EALDH1A1HPGDL3MBTL1MAPT

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 3 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 disclosed
EP-2250152-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE Novartis AG (CH) 2010-11-17 EP disclosed
WO-2009106586-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2009-09-03 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 (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 KDM4E 2805/4885ALDH1A1 1398/4885HPGD 224/4885

“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.