SCHEMBL1047966

SCHEMBL1047966

O=Cc1cnc2ncc(Br)cn12

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL24998260 0.77 ALDH1A1 (0.30) ALDH1A1
SCHEMBL18370534 0.77 HPGD (0.30) HSD17B10
SCHEMBL24997426 0.77 CYP1A2 (0.30)
SCHEMBL1865755 0.74 MAP3K14 (0.43) ALDH1A1
SCHEMBL24997463 0.74 KMT2A (0.32) ALDH1A1
SCHEMBL24998124 0.73 ALDH1A1 (0.35) ALDH1A1
SCHEMBL1865829 0.70 L3MBTL1 (0.42) ALDH1A1HSD17B10
SCHEMBL25157109 0.70 ALDH1A1 (0.33) ALDH1A1HSD17B10
SCHEMBL3151839 0.69 BACE1 (0.47) ALDH1A1HSD17B10
SCHEMBL24997540 0.68 MAPK1 (0.41) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
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
EP-1725530-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-11-29 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 (2 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 ALDH1A1 1013/4885HSD17B10 215/4885
US-20080058320-A1 Organic Compounds REN, AGTR1, ADH1C ALDH1A1 77/4885HSD17B10 487/4885

“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.