SCHEMBL1050596

SCHEMBL1050596

O=CNCc1cc(Br)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADH1B P00325 1/20 0.37
ADH1C P00326 1/20 0.37
ADH1A P07327 1/20 0.37
ADH7 P40394 1/20 0.37
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4A O75164 2/20 0.33
KDM4B O94953 2/20 0.33
KDM5C P41229 2/20 0.33
KDM5B Q9UGL1 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CCR5 P51681 1/20 0.33

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
SCHEMBL29705247 1.00 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2ADH1BADH1C
SCHEMBL21355793 0.82 ADH1B (0.37) KDM4EALDH1A1ADH1BADH1CADH1A
SCHEMBL25299576 0.79 KDM1A (0.44) KDM4EALDH1A1ADH1BADH1CADH1A
SCHEMBL17338855 0.77 ADH1B (0.34) KDM4EALDH1A1SMN1; SMN2ADH1BADH1C
SCHEMBL17847863 0.76 KCNH2 (0.40) KDM4EALDH1A1SMN1; SMN2MAPTCYP1A2
SCHEMBL14855446 0.76 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2MAPTCYP1A2
SCHEMBL21355854 0.75 NOS2 (0.53) CYP2C9CCR5
SCHEMBL3475219 0.74 SMN1; SMN2 (0.49) KDM4EALDH1A1SMN1; SMN2MAPTCYP1A2
SCHEMBL10647756 0.73 ADH1B (0.37) KDM4EADH1BADH1CADH1AADH7
SCHEMBL29837887 0.73 ADH1B (0.38) KDM4EALDH1A1SMN1; SMN2ADH1BADH1C

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12441724-B2 Inhibitors of plasma kallikrein and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-10-14 US disclosed
US-20240150345-A1 GCN2 MODULATING COMPOUNDS AND USES THEREOF PHARMARON UK LTD. (GB) 2024-05-09 US disclosed
US-20230078513-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF SHIRE HUMAN GENETIC THERAPIES, INC. 2023-03-16 US disclosed
WO-2022159745-A1 GCN2 MODULATING COMPOUNDS AND USES THEREOF HIBERCELL, INC. (US) 2022-07-28 WO disclosed
US-11352356-B2 Inhibitors of plasma kallikrein and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-06-07 US disclosed
EP-3765459-A1 SUBSTITUTED IMIDAZOPYRIDINES AS INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF Shire Human Genetic Therapies, Inc. (US) 2021-01-20 EP disclosed
CN-112135825-A Plasma kallikrein inhibitors and uses thereof 夏尔人类遗传性治疗公司 2020-12-25 CN disclosed
EP-3083583-B1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS AND COMBINATIONS THEREOF SAGIMET BIOSCIENCES INC (US) 2020-11-18 EP disclosed
EP-3083583-B1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS AND COMBINATIONS THEREOF SAGIMET BIOSCIENCES INC (US) 2020-11-18 EP disclosed
US-20200317667-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF SHIRE HUMAN GENETIC THERAPIES, INC. 2020-10-08 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
CN-1934082-A Organic compounds SPEEDEL EXPERIMENTA AG (CH) 2007-03-21 CN disclosed
CN-1934083-A 5-amino-4-hydroxy-7- (1H-indolylmethyl) -8-methylnonanamide derivatives as renin inhibitors for the treatment of hypertension SPEEDEL EXPERIMENTA AG (CH) 2007-03-21 CN 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-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
WO-2005090304-A1 ORGANIC COMPOUNDS 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 (7 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-11352356-B2 Inhibitors of plasma kallikrein and uses thereof KLKB1, KLK1, KLK5 KDM4E 738/4885ALDH1A1 3157/4885SMN1; SMN2 4772/4885
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 2283/4885ALDH1A1 1013/4885SMN1; SMN2 4551/4885
US-12441724-B2 Inhibitors of plasma kallikrein and uses thereof KLKB1, KLK1, KLK5 KDM4E 738/4885ALDH1A1 3157/4885SMN1; SMN2 4772/4885
US-20240150345-A1 GCN2 MODULATING COMPOUNDS AND USES THEREOF EIF2AK4, GCN1, CLN6 KDM4E 4187/4885ALDH1A1 4164/4885SMN1; SMN2 91/4885
US-20200317667-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 KDM4E 738/4885ALDH1A1 3157/4885SMN1; SMN2 4772/4885
US-20230078513-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 KDM4E 738/4885ALDH1A1 3157/4885SMN1; SMN2 4772/4885
US-20080058320-A1 Organic Compounds REN, AGTR1, ADH1C KDM4E 2793/4885ALDH1A1 77/4885SMN1; SMN2 4528/4885

“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.