SCHEMBL2116328

SCHEMBL2116328

CCOP(=O)(CNc1ccc2cc([N+](=O)[O-])cc(-c3cccc4ccccc34)c2n1)OCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.37
MAPT P10636 5/20 0.37
CCNT1 O60563 2/20 0.36
CDK9 P50750 2/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 4/20 0.36
LMNA P02545 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FDPS P14324 1/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
GLA P06280 3/20 0.35
GAA P10253 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
ATM Q13315 1/20 0.35
ALOX5 P09917 1/20 0.34
NPC1 O15118 1/20 0.34
TNF P01375 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL2120566 0.85 MAPT (0.40) KDM4EMAPTALDH1A1LMNAMEN1
SCHEMBL2116374 0.85 KDM4E (0.43) KDM4EMAPTCCNT1CDK9ALDH1A1
SCHEMBL2116893 0.85 FDPS (0.41) KDM4EMAPTCCNT1CDK9ALDH1A1
SCHEMBL2116764 0.85 KDM4E (0.38) KDM4EMAPTCCNT1CDK9ALDH1A1
SCHEMBL2116331 0.83 MAPT (0.36) KDM4EMAPTALDH1A1HPGDLMNA
SCHEMBL2115923 0.82 KDM4E (0.40) KDM4EMAPTALDH1A1HPGDLMNA
SCHEMBL2118724 0.80 MAPT (0.41) KDM4EMAPTALDH1A1HPGDLMNA
SCHEMBL2116268 0.79 PDE10A (0.38) KDM4EMAPTALDH1A1HPGDLMNA
SCHEMBL2117443 0.78 MAPT (0.37) KDM4EMAPTALDH1A1HPGDLMNA
SCHEMBL2117449 0.78 MAPT (0.37) KDM4EMAPTALDH1A1HPGDLMNA

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 2805/4885MAPT 4083/4885CCNT1 749/4885

“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.