SCHEMBL90719

SCHEMBL90719

COCCCOc1cc([N+](=O)[O-])c(F)cc1C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.40
CTSB P07858 1/20 0.40
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 3/20 0.35
CYP3A4 P08684 1/20 0.35
RECQL P46063 2/20 0.35
RAB9A P51151 2/20 0.35
EGFR P00533 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
REN P00797 1/20 0.34
KCNH2 Q12809 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
SCHEMBL89281 0.82 ALDH1A1 (0.44) PTGESCTSBALDH1A1KDM4EHTT
SCHEMBL90030 0.81 PTGES (0.41) PTGESCTSBALDH1A1KDM4EHTT
SCHEMBL90718 0.76 POLB (0.37) ALDH1A1KDM4EPOLBSMN1; SMN2CYP3A4
SCHEMBL13395143 0.76 TDP1 (0.42) ALDH1A1KDM4ELMNAPOLBMAPT
SCHEMBL12413958 0.73 ATM (0.46) ALDH1A1LMNAMAPTSMN1; SMN2CYP3A4
SCHEMBL2311960 0.73 ALDH1A1 (0.50) PTGESCTSBALDH1A1KDM4EHTT
SCHEMBL8263434 0.72 ALDH1A1 (0.51) CTSBALDH1A1KDM4EHTTLMNA
SCHEMBL19461958 0.71 MAPT (0.44) ALDH1A1KDM4EHTTLMNAPOLB
SCHEMBL21980680 0.71 MAPT (0.45) PTGESALDH1A1KDM4ELMNAMAPT
SCHEMBL22502160 0.70 MAPT (0.45) ALDH1A1KDM4EHTTLMNAMAPT

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 122/4885CTSB 485/4885ALDH1A1 38/4885

“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.