SCHEMBL1048028

SCHEMBL1048028

COCCCCc1cc(Br)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KMT2A Q03164 1/20 0.36
DYRK1A Q13627 1/20 0.36
NOS2 P35228 3/20 0.35
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
LMNA P02545 3/20 0.34
SLC6A4 P31645 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 3/20 0.33
SREBF2 Q12772 1/20 0.33
LNPEP Q9UIQ6 1/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL5162783 0.95 SMN1; SMN2 (0.38) KDM4ESMN1; SMN2HTTHSD17B10KMT2A
SCHEMBL22637134 0.88 DYRK1A (0.38) KDM4ESMN1; SMN2HTTHSD17B10DYRK1A
SCHEMBL27644599 0.81 KCNH2 (0.44) KDM4ESMN1; SMN2HTTLMNANPC1
SCHEMBL23815855 0.79 KCNH2 (0.47) KDM4ESMN1; SMN2HSD17B10LMNASLC6A4
SCHEMBL31590556 0.79 KCNH2 (0.47) KDM4ESMN1; SMN2HSD17B10LMNASLC6A4
SCHEMBL10264193 0.79 KDM4E (0.42) KDM4ESMN1; SMN2NOS2NOS3NOS1
SCHEMBL28510195 0.79 KCNH2 (0.41) KDM4ESMN1; SMN2HTTHSD17B10NOS2
SCHEMBL5536344 0.78 KDM4E (0.33) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL5536232 0.78 KDM4E (0.33) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL5536237 0.78 KDM4E (0.33) KDM4ESMN1; SMN2ALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868036-B2 Organic compounds NOVARTIS AG (CH) 2011-01-11 US disclosed
US-7851634-B2 5-amino 4-hydroxy-7-(1H-indolmethyl)-8-methylnonamide derivatives as renin inhibitors for the treatment of hypertension NOVARTIS AG (CH) 2010-12-14 US disclosed
US-20080280895-A1 5-Amino-4-Hydroxy-7-(1H-Indolmethyl)-8-Methylnonamide Derivatives as Renin Inhibitors for the Treatment of Hypertension NOVARTIS AG (CH) 2008-11-13 US disclosed
US-20080058320-A1 Organic Compounds NOVARTIS AG (CH) 2008-03-06 US disclosed
US-20070066582-A1 Diaminoalcohols as therapeutic compounds SPEEDEL EXPERIMENTA AG (CH) 2007-03-22 US disclosed
EP-1764099-A2 Diaminoalcohol derivatives for the treatment of Alzheimer, malaria, HIV Speedel Experimenta AG (CH) 2007-03-21 EP disclosed
EP-1725530-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-11-29 EP disclosed
EP-1712548-A2 5-AMINO-4-HYDROXY-7-(PYRIDINYLMETHYL)-ALKANAMIDE DERIVATIVES AND RELATED COMPOUNDS AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION Speedel Experimenta AG (CH) 2006-10-18 EP disclosed
EP-1699762-A1 5-AMINO-4-HYDROXY-7-(1H-INDOLMETHYL)-8-METHYLNONAMIDE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION Speedel Experimenta AG (CH) 2006-09-13 EP disclosed
WO-2005090304-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-09-29 WO disclosed
WO-2005090305-A1 5-AMINO-4-HYDROXY-7-(1H-INDOLMETHYL)-8-METHYLNONAMIDE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION SPEEDEL EXPERIMENTA AG (CH) 2005-09-29 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 (3 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-20080280895-A1 5-Amino-4-Hydroxy-7-(1H-Indolmethyl)-8-Methylnonamide Derivatives as Renin Inhibitors for the Treatment of Hypertension REN, AGTR1, AGTR2 KDM4E 2283/4885SMN1; SMN2 4551/4885HTT 2197/4885
US-20070066582-A1 Diaminoalcohols as therapeutic compounds CTSD, CTSL, CTSC KDM4E 2859/4885SMN1; SMN2 3398/4885HTT 1606/4885
US-20080058320-A1 Organic Compounds REN, AGTR1, ADH1C KDM4E 2793/4885SMN1; SMN2 4528/4885HTT 3265/4885

“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.