SCHEMBL57522

SCHEMBL57522

CC(C)c1cc(F)c([N+](=O)[O-])cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.46
ALOX12 P18054 2/20 0.46
TDP1 Q9NUW8 2/20 0.42
ATM Q13315 1/20 0.42
ESPL1 Q14674 1/20 0.41
PDK1 Q15118 1/20 0.41
ALDH1A1 P00352 3/20 0.41
TTR P02766 3/20 0.41
HIF1A Q16665 2/20 0.41
GPR35 Q9HC97 2/20 0.41
MAPT P10636 2/20 0.41
SNCA P37840 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
PMP22 Q01453 1/20 0.41

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
SCHEMBL12413958 0.84 ATM (0.46) ALOX15ALOX12TDP1ATMESPL1
SCHEMBL20357958 0.79 TDP1 (0.42) ALOX15TDP1ATMESPL1PDK1
SCHEMBL28892661 0.79 SNCA (0.55) ALOX15ALOX12TDP1ATMESPL1
SCHEMBL12919834 0.78 PDK1 (0.45) ALOX15ALOX12TDP1ATMESPL1
SCHEMBL810816 0.77 TDP1 (0.50) ALOX15ALOX12TDP1ATMESPL1
SCHEMBL15927701 0.77 TDP1 (0.43) TDP1ATMESPL1PDK1ALDH1A1
SCHEMBL11578333 0.77 LMNA (0.50) ALOX15ALOX12PDK1ALDH1A1GPR35
SCHEMBL1493852 0.77 TDP1 (0.49) ALOX15ALOX12TDP1PDK1ALDH1A1
SCHEMBL56647 0.77 GPR35 (0.47) ALOX15ALOX12TDP1ATMESPL1
SCHEMBL26137537 0.77 PDK1 (0.44) ALOX15ALOX12TDP1ATMESPL1

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-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
CN-101365680-A 3, 5-substituted piperidine compounds as renin inhibitors NOVARTIS AG (CH) 2009-02-11 CN disclosed
EP-1968940-A1 3 , 5-SUBSTITUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS Novartis AG (CH) 2008-09-17 EP disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 ALOX15 973/4885ALOX12 1476/4885TDP1 2580/4885

“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.