SCHEMBL1047655

SCHEMBL1047655

COCCCc1c2cc(Br)ccc2nn1C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ DYRK1A Q13627 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MPO P05164 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CASP3 P42574 4/20 0.33
▸ LMNA P02545 2/20 0.33
▸ PTGER4 P35408 1/20 0.33
▸ FBP1 P09467 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ HTT P42858 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PRNP P04156 1/20 0.33
▸ IDO1 P14902 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
SCHEMBL22164596 0.80 LMNA (0.39) ALDH1A1MEN1KMT2AMPOKDM4E
SCHEMBL8234898 0.80 MPO (0.50) ALDH1A1HSD17B10MPOKDM4EATM
SCHEMBL14077456 0.77 HTT (0.42) ALDH1A1KDM4EMAPTCASP3LMNA
SCHEMBL20450508 0.76 LMNA (0.38) ALDH1A1MEN1KMT2AMPOKDM4E
SCHEMBL27872993 0.76 CYP1A2 (0.38) ALDH1A1MEN1KMT2AKDM4ECASP3
SCHEMBL1051347 0.75 DYRK1A (0.39) ALDH1A1DYRK1AHSD17B10PTGER4IDO1
SCHEMBL30620821 0.71 HTT (0.36) ALDH1A1MAPTCASP3LMNAATM
SCHEMBL27889426 0.71 PRNP (0.41) ALDH1A1MEN1KMT2AMPOKDM4E
SCHEMBL13106339 0.69 CASP3 (0.48) ALDH1A1MEN1KMT2AMPOCASP3
SCHEMBL1048933 0.68 ADRB2 (0.48) ALDH1A1DYRK1AHSD17B10KDM4EMAPT

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 10 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
CN-1934082-A Organic compounds SPEEDEL EXPERIMENTA AG (CH) 2007-03-21 — — CN disclosed
EP-1725530-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-11-29 — — EP disclosed
EP-1724259-A1 2,7-SUBSTITUTED 5-AMINO-4-HYDROXY-8-(1H-INDAZOL-5-YL)-OCTAN AMIDE DERIVATIVES AND RELATED COMPOUNDS AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION Speedel Experimenta AG (CH) 2006-11-22 — — 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 1013/4885MEN1 1485/4885KMT2A 2127/4885
US-20080058320-A1 Organic Compounds REN, AGTR1, ADH1C ALDH1A1 77/4885MEN1 1572/4885KMT2A 3647/4885

“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.

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