SCHEMBL90030

SCHEMBL90030

CCc1cc(F)c([N+](=O)[O-])cc1OCCCOC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.41
ALDH1A1 P00352 8/20 0.40
KDM4E B2RXH2 2/20 0.40
HTT P42858 2/20 0.40
CTSB P07858 1/20 0.39
RAB9A P51151 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 2/20 0.36
NPC1 O15118 2/20 0.36
CYP2D6 P10635 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 1/20 0.36
EGFR P00533 1/20 0.36
ESPL1 Q14674 1/20 0.35

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
SCHEMBL89281 0.84 ALDH1A1 (0.44) PTGESALDH1A1KDM4EHTTCTSB
SCHEMBL90719 0.81 PTGES (0.40) PTGESALDH1A1KDM4EHTTCTSB
SCHEMBL88784 0.78 LMNA (0.36) KDM4EHTTKMT2ALMNAMAPT
SCHEMBL89538 0.77 TAAR1 (0.37) ALDH1A1KDM4EHTTKMT2AMEN1
SCHEMBL2572480 0.75 HTT (0.43) ALDH1A1HTTRAB9AKMT2AMEN1
SCHEMBL22502160 0.75 MAPT (0.45) ALDH1A1KDM4EHTTLMNAMAPT
SCHEMBL2311960 0.75 ALDH1A1 (0.50) PTGESALDH1A1KDM4EHTTCTSB
SCHEMBL9024025 0.74 MEN1 (0.46) ALDH1A1KDM4EHTTRAB9AKMT2A
SCHEMBL8263434 0.74 ALDH1A1 (0.51) ALDH1A1KDM4EHTTCTSBRAB9A
SCHEMBL9848594 0.73 MEN1 (0.56) PTGESALDH1A1KDM4EHTTRAB9A

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 4 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
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 PTGES 122/4885ALDH1A1 38/4885KDM4E 1650/4885

“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.